⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20846969 | 0.81 | CYP1A2 (0.37) | — | |
| SCHEMBL20847030 | 0.81 | CYP1A2 (0.37) | — | |
| SCHEMBL5050689 | 0.73 | — | — | |
| SCHEMBL10580520 | 0.73 | — | — | |
| SCHEMBL671991 | 0.69 | — | — | |
| SCHEMBL21761164 | 0.69 | — | — | |
| SCHEMBL3870346 | 0.69 | — | — | |
| SCHEMBL18161135 | 0.69 | — | — | |
| SCHEMBL23960246 | 0.68 | — | — | |
| SCHEMBL12829332 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101583606-B | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY DISCOVERY INC | 2015-04-08 | — | — | CN | disclosed |
| CN-101528716-B | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY DISCOVERY INC | 2013-03-27 | — | — | CN | 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 |
| EP-2064192-A2 | COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | Infinity Discovery, Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008024337-A2 | COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | INFINITY DISCOVERY, INC. (US) | 2008-02-28 | — | — | WO | disclosed |