⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17690663 | 0.78 | — | — | |
| SCHEMBL22212495 | 0.73 | — | — | |
| SCHEMBL5567766 | 0.73 | — | — | |
| SCHEMBL3921916 | 0.72 | — | — | |
| SCHEMBL12835171 | 0.71 | — | — | |
| SCHEMBL12033846 | 0.71 | — | — | |
| SCHEMBL477274 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL17058019 | 0.67 | — | — | |
| SCHEMBL6609618 | 0.67 | — | — | |
| SCHEMBL13417451 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1959738-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | Cytokinetics, Inc. (US) | 2008-08-27 | — | — | EP | claimed |
| WO-2007070626-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | CYTOKINETICS, INC. (US) | 2007-06-21 | — | — | WO | claimed |