⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2301197 | 0.89 | — | — | |
| SCHEMBL2301217 | 0.89 | — | — | |
| SCHEMBL2299640 | 0.89 | — | — | |
| SCHEMBL2295290 | 0.87 | — | — | |
| SCHEMBL2298035 | 0.85 | — | — | |
| SCHEMBL2295328 | 0.85 | — | — | |
| SCHEMBL2300186 | 0.81 | RET (0.35) | — | |
| SCHEMBL2300398 | 0.80 | PTGES (0.35) | — | |
| SCHEMBL2295297 | 0.77 | TLR8 (0.30) | — | |
| SCHEMBL2297839 | 0.76 | ACLY (0.37) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7989469-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INCORPORATED (US) | 2011-08-02 | — | — | US | claimed |
| EP-2244711-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | Cytokinetics, Incorporated (US) | 2010-11-03 | — | — | EP | claimed |
| US-20090253737-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED | 2009-10-08 | — | — | US | claimed |
| WO-2009099594-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2009-08-13 | — | — | WO | claimed |
| US-20110312975-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | YANG ZHE (US) | 2011-12-22 | — | — | US | disclosed |
| US-7989469-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INCORPORATED (US) | 2011-08-02 | — | — | US | disclosed |
| EP-2244711-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | Cytokinetics, Incorporated (US) | 2010-11-03 | — | — | EP | disclosed |
| US-20090253737-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED | 2009-10-08 | — | — | US | disclosed |
| WO-2009099594-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2009-08-13 | — | — | WO | disclosed |