⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7054188 | 0.80 | — | — | |
| SCHEMBL28556120 | 0.78 | MGAM (0.39) | — | |
| SCHEMBL7102467 | 0.78 | ALDH1A1 (0.46) | — | |
| Formaldehyde SCHEMBL9514376 | 0.77 | GAA (0.52) | — | |
| SCHEMBL7053966 | 0.77 | CES2 (0.50) | — | |
| SCHEMBL195069 | 0.76 | — | — | |
| SCHEMBL123093 | 0.76 | — | — | |
| SCHEMBL9300092 | 0.75 | — | — | |
| SCHEMBL7051233 | 0.75 | CES2 (0.59) | — | |
| SCHEMBL4444502 | 0.75 | — | — |
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 3 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 | claimed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |