⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4373865 | 0.77 | — | — | |
| SCHEMBL7055948 | 0.76 | — | — | |
| SCHEMBL2089161 | 0.65 | GAA (0.32) | — | |
| SCHEMBL3315330 | 0.65 | — | — | |
| SCHEMBL4373863 | 0.63 | — | — | |
| SCHEMBL6002562 | 0.63 | GAA (0.30) | — | |
| SCHEMBL15545588 | 0.60 | — | — | |
| SCHEMBL7055300 | 0.60 | — | — | |
| SCHEMBL8917147 | 0.60 | — | — | |
| SCHEMBL13912859 | 0.60 | — | — |
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 |