⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6703853 | 0.65 | — | — | |
| SCHEMBL21799 | 0.65 | — | — | |
| SCHEMBL7872033 | 0.65 | — | — | |
| SCHEMBL10646037 | 0.62 | — | — | |
| SCHEMBL84326 | 0.62 | — | — | |
| SCHEMBL27373255 | 0.62 | — | — | |
| SCHEMBL22115922 | 0.62 | — | — | |
| SCHEMBL22115910 | 0.62 | — | — | |
| SCHEMBL11248428 | 0.62 | — | — | |
| SCHEMBL27570495 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070129331-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES | RND PHARMACEUTICALS, INC. (US) | 2007-06-07 | — | — | US | claimed |
| EP-1737471-A2 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES | RND Pharmaceuticals (US) | 2007-01-03 | — | — | EP | claimed |
| WO-2005102358-A2 | SILICONE-SUBSTITUTED COX-2 SELECTIVE INHIBITORS | RND PHARMACEUTICALS (US) | 2005-11-03 | — | — | WO | claimed |
| CN-103951633-B | Mitotic kinesin inhibitors and methods of use thereof | 阿雷生物药品公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-103626720-B | Mitotic kinesin inhibitors and using method thereof | 阿雷生物药品公司 | 2016-11-16 | — | — | CN | disclosed |