⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3245700 | 0.97 | — | — | |
| SCHEMBL392917 | 0.97 | — | — | |
| SCHEMBL3436859 | 0.97 | — | — | |
| SCHEMBL4482571 | 0.97 | — | — | |
| Oxirane SCHEMBL8386895 | 0.95 | CA12 (0.44) | — | |
| Hydrochloric Acid SCHEMBL6021737 | 0.95 | — | — | |
| SCHEMBL18967739 | 0.83 | — | — | |
| SCHEMBL2602815 | 0.83 | — | — | |
| SCHEMBL21911107 | 0.75 | — | — | |
| SCHEMBL11995144 | 0.75 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8609706-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY DISCOVERY, INC. (US) | 2013-12-17 | — | — | US | disclosed |
| US-20130131063-A1 | Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners | INFINITY PHARMACEUTICALS, INC. (US) | 2013-05-23 | — | — | US | disclosed |
| US-8178690-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| US-20110213145-A1 | Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners | INFINITY DISCOVERY, INC. (US) | 2011-09-01 | — | — | US | disclosed |
| US-7928244-B2 | Isoxazolidine small molecules; cancer, hyperproliferation disorders; blocking antiapoptotic function | INFINITY DISCOVERY, INC. (US) | 2011-04-19 | — | — | US | disclosed |
| US-20080114167-A1 | Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners | INFINITY DISCOVERY, INC. (US) | 2008-05-15 | — | — | US | disclosed |