⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2961814 | 0.71 | — | — | |
| SCHEMBL722595 | 0.69 | CYP2A6 (0.56) | — | |
| SCHEMBL113923 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL28878962 | 0.67 | — | — | |
| SCHEMBL3084000 | 0.67 | — | — | |
| SCHEMBL2963807 | 0.67 | — | — | |
| SCHEMBL6639232 | 0.65 | — | — | |
| SCHEMBL6184809 | 0.65 | — | — | |
| SCHEMBL2465395 | 0.65 | — | — | |
| SCHEMBL157623 | 0.65 | — | — |
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-9290486-B1 | Compositions and methods for the treatment of epilepsy | CELLIX BIO PRIVATE LIMITED (IN) | 2016-03-22 | — | — | US | disclosed |
| EP-0736530-A2 | Retinoid-like heterocycles | Bristol-Myers Squibb Company (US) | 1996-10-09 | — | — | EP | disclosed |