Technology Enabled Libraries
With decades of experience behind us, our team is brimming with novel chemistry ideas, whilst our design philosophy centers on totally novel yet fully lead-like libraries.
Our bespoke screening sets typically have 100 – 300 members per library in order to sample chemical space effectively and provide medicinal chemists with excellent starting points for further optimization. We use a range of technologies like flow and photochemistry next to in silico modelling and design. Our current libraries concentrate on highly selective hydrogenation transformations to generate novel 3D structures with high Fsp3 characteristics. The concept of our library design has been validated in a collaboration project where ~43,000 compounds have been produced in the last 3 years. We aspire for high-quality so our compounds can be formatted to meet the Lilly MedChem rules as well as the PAINS and QED filters and all undesired and reactive functionalities commonly avoided have been filtered out from libraries.
New Synthesis Technologies
• Selective hydrogenation (bicyclic scaffolds)
• Diastereoselective hydrogenation
• Flow Photochemistry (collaboration with Tim Noel, TUE)
• Flow Negishi Coupling
• SnAP chemistry
• Target Oriented Library
Design and preparation of biologically active small molecule chemical libraries according to customer needs based on in silico prediction and design methods.
ComInnex has developed a Target-Oriented Library (TOL) program recognizing the recent trends and the increasing demand for biology oriented libraries in the pharma industry.
The TOL approach combines state-of-the art chemo-informatics methods:
- 2D/3D similarity search
- fragment-based approaches
- pharmacophore model building
- 3D modelling and docking
- scaffold hopping
Based on multi-year synthetic experience and special technology platform unique drug-like chemical structures generated.
- Special libraries designed and are available for apoptosis induction in cancer cells
- Besides CIX proprietary focused libraries any new compound collections offered and prepared following the requests of the partners