⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4022340 | 0.94 | KDM1A (0.31) | — | |
| SCHEMBL4021234 | 0.88 | OPRD1 (0.33) | — | |
| SCHEMBL4774163 | 0.86 | KDM2B (0.31) | — | |
| SCHEMBL4019903 | 0.85 | KDM1A (0.31) | — | |
| SCHEMBL4023810 | 0.85 | KDM2B (0.31) | — | |
| SCHEMBL4778094 | 0.84 | KDM2B (0.32) | — | |
| SCHEMBL4022123 | 0.84 | RORC (0.41) | — | |
| SCHEMBL4022033 | 0.84 | KDM2B (0.32) | — | |
| SCHEMBL4028221 | 0.84 | KDM2B (0.32) | — | |
| SCHEMBL4020432 | 0.83 | KCNH2 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1962846-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Cytokinetics, Inc. (US) | 2008-09-03 | — | — | EP | claimed |
| WO-2007059323-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INC. (US) | 2007-05-24 | — | — | WO | claimed |
| EP-1962846-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Cytokinetics, Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007059323-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INC. (US) | 2007-05-24 | — | — | WO | disclosed |