⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1507066 | 0.76 | — | — | |
| SCHEMBL27559193 | 0.76 | CHRNB2 (0.56) | — | |
| SCHEMBL6357595 | 0.76 | CHRNB2 (0.46) | — | |
| SCHEMBL875081 | 0.74 | CHRNB2 (0.46) | — | |
| SCHEMBL3050102 | 0.74 | CHRNB2 (0.70) | — | |
| SCHEMBL12086547 | 0.73 | CHRNB2 (0.44) | — | |
| SCHEMBL12086548 | 0.73 | CHRNB2 (0.44) | — | |
| SCHEMBL197638 | 0.73 | — | — | |
| SCHEMBL3453726 | 0.71 | CHRNB2 (0.51) | — | |
| SCHEMBL14480125 | 0.71 | CHRNB2 (0.43) | — |
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 | claimed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |