ChEMBL is a manually curated database of bioactive compounds with drug-like properties. Continuously evolving since 2009, it now includes contributions from multiple datasets and features novel additions like chemical probe data and anti-SARS-CoV-2 activity screenings. 

ChEMBL has undergone 33 major releases, during which time the database has grown significantly in both scope and scale. Just two weeks ago, ChEMBL 34 was released!   

Without delay, we are thrilled to present our updated collection of ChEMBL analogs! We recognize the critical role of searching for analogs to compounds with known activity. That is why we have created ChEMBL analogs set.   

ChEMBL compounds labeled as ‘active’ were a reference set. We have managed to select similar compounds to the reference set, utilizing our extensive screening collection and filters (Tanimoto similarity coefficient 0,6 and higher, Morgan 2 fingerprints, 1024 bit). 

Now, you can effortlessly download our analog set and accelerate the hit expansion step in your drug discovery project!