⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL943336 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5183498 | 0.71 | CYP1A2 (0.56) | — | |
| Ethylene SCHEMBL11417277 | 0.71 | CYP1A2 (0.56) | — | |
| SCHEMBL1639962 | 0.71 | — | — | |
| Bromide SCHEMBL11800221 | 0.71 | CYP1A2 (0.56) | — | |
| SCHEMBL25095460 | 0.69 | — | — | |
| SCHEMBL19333977 | 0.69 | — | — | |
| SCHEMBL15380882 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL22771646 | 0.69 | — | — | |
| SCHEMBL3278126 | 0.69 | — | — |
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-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |
| WO-1997001114-A1 | CONTACT AND INTRAOCULAR LENSES CONTAINING ULTRAVIOLET ABSORBERS AND METHOD OF THEIR PRODUCTION | ÚSTAV MAKROMOLEKULÁRNÍ CHEMIE AKADEMIE VED C^¿ESKÉ REPUBLIKY (CZ) | 1997-01-09 | — | — | WO | disclosed |