⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29497427 | 0.79 | — | — | |
| SCHEMBL129117 | 0.79 | — | — | |
| SCHEMBL18204567 | 0.77 | — | — | |
| SCHEMBL6202925 | 0.77 | NOS3 (0.42) | — | |
| SCHEMBL131465 | 0.76 | PDE1A (0.46) | — | |
| SCHEMBL9474876 | 0.76 | NOS3 (0.45) | — | |
| SCHEMBL29716346 | 0.74 | KMT2A (0.45) | — | |
| SCHEMBL22061929 | 0.74 | KMT2A (0.45) | — | |
| SCHEMBL2614923 | 0.74 | LRRK2 (0.45) | — | |
| SCHEMBL29497424 | 0.74 | LRRK2 (0.45) | — |
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 |