Parallel Chemistry and Compound Libraries

The quality of a screening collection affects the fate of a drug discovery project – Taros’ compound library designs target underpopulated druglike chemical space

  • Screening libraries
  • Focused and targeted libraries
  • Fragment collection
  • Hit and SAR expansion arrays
  • Under-populated druglike chemical space
  • Novel sp3-rich scaffolds
High quality library design requires chemical creativity and profound synthesis knowledge to achieve the highest possible molecular diversity. Our efficient production process reduces the costs per compound by utilising parallel synthesis and high throughput purification. Taros has established a highly successful and efficient library and parallel synthesis group as evidenced by our outstanding contribution to the European Lead Factory (ELF), for which we successfully designed, synthesized and delivered over 40,000 library compounds from more than 100 chemical scaffolds. Moreover, in our role as an ELF executive member and head of the chemistry consortium, Taros was responsible for managing the entire chemistry consortium (7 companies and 10 academic groups throughout Europe) to develop and produce the ELF public compound collection consisting of 200.000 novel and lead-like compounds.
design and synthesis of peptide and peptidomimetics within medicinal chemistry research

Medicinal Chemistry

In Medicinal Chemistry research, we are working with a broadly experienced team on all biomolecular targets from any gene family in any therapeutic area. Our expertise ranges…

Taros computational chemistry expertise encompasses the whole spectrum of computer-aided drug design, from virtual screening to adaptive SAR analysis as well as molecular modelling to statistical forecasting.

Computational Chemistry and Molecular Modeling

We routinely apply computer sciences in computational chemistry approaches and apply methods for structure-based drug design, in case structural data of the target protein…

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under-populated druglike chemical space?

Research chemists in organic chemistry laboratory
Research chemists collaborating in organic chemistry laboratory
Research chemists evaluating results in organic chemistry laboratory

Druglike physicochemical properties and medicinal chemistry relevance

Taros unlocks underexplored chemical space by encoding natural product derived topology into novel scaffolds. Our library designs show a remarkably lower clogP, an increased number of chiral atoms and a significantly higher fraction of sp3-hybridised carbons (fsp3). In contrast to commercially available screening libraries, the high 3D character is engineered into the scaffolds and does not solely derive from a favourable decoration at its periphery. Involving our experienced medicinal chemists guarantees that our scaffolds are decorated with chemical building blocks that are of medicinal chemistry relevance. In addition, our scaffolds bear a high number of diversity points for systematic exploration of the chemical space around the design and hence rapid lead identification.
  • Optimal sampling of chemical space by cheminformatics
  • Creativity in the design and the reduction to practice
  • Translation of known methods to novel scaffolds
  • Development of new routes to hitherto inaccessible scaffolds
  • Wide range of reactions established for parallel synthesis
  • Awareness of possibilities AND limitations
synthetic organic chemistry

Custom Synthesis

As a leading Contract Research Organization in Europe, Taros provides valuable contract discovery for synthetic organic chemistry, chemical process development, and…

therapeutic areas

Indications and Gene Families

We provide expertise on G-protein coupled receptors, nuclear (hormone) receptors, enzymes and transporters, ion channels, as well as protein-protein interactions and…

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As a leading CRO in Europe, Taros provides comprehensive drug discovery chemistry services for large Pharma and Biotech corporations as well as for Research Institutes and Academia

Our experienced chemists practice a pragmatic culture and customer-centric approach in order to exceed project expectations and, despite challenges, bridge very narrow timelines. They are trained to consider economic, safety and ecological boundaries and conditions laid out for all stages of the project.