This weekend George is here with an amazing paper, where the authors performed a comprehensive analysis of all ring systems of compounds in clinical trials and approved by the FDA.
Before we start, we want to remind you about an amazing, related product created by our Molecular Modeling Team – Chemspace Bioactive Rings Collection. It is based on Dr. Peter Ertl’s work, where he determined the rings that tend to be parts of active compounds more often. The resulting set contains in-stock compounds with the most potent rings against a selection of targets.
The authors of today’s featured article determined, that 67% of small molecules in clinical trials are comprised of the same rings as the marketed drugs. The analysis of more than 2 billion molecules showed that only 0.1% out of all 450k unique ring systems in the space are present in the clinical trials compounds.
Besides the extensive analysis, they also suggest 3902 future promising systems, that are predicted to cover about half of the novel ring systems entering clinical trials. Check out the full work here!
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