⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL211796 | 0.90 | TP53 (0.31) | — | |
| SCHEMBL13616785 | 0.90 | MAPT (0.33) | — | |
| SCHEMBL210469 | 0.90 | KDM4E (0.31) | — | |
| SCHEMBL210248 | 0.87 | KDM4E (0.33) | — | |
| SCHEMBL213574 | 0.85 | KDM4E (0.33) | — | |
| SCHEMBL212414 | 0.85 | CYP1A2 (0.34) | — | |
| SCHEMBL13617163 | 0.84 | — | — | |
| SCHEMBL212727 | 0.84 | MAPT (0.31) | — | |
| SCHEMBL9608347 | 0.83 | TP53 (0.32) | — | |
| SCHEMBL211541 | 0.83 | TP53 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088793-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| US-20090275537-A1 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. | 2009-11-05 | — | — | US | disclosed |