⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL786920 | 0.73 | — | — | |
| Water SCHEMBL28211134 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7085472 | 0.71 | — | — | |
| SCHEMBL21089331 | 0.69 | — | — | |
| SCHEMBL11851480 | 0.69 | — | — | |
| SCHEMBL28450265 | 0.67 | — | — | |
| SCHEMBL5004354 | 0.67 | — | — | |
| SCHEMBL12738544 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL21468438 | 0.67 | CA12 (0.40) | — | |
| Hydrochloric Acid SCHEMBL27750864 | 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 1 patent. 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 |