⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL862169 | 0.82 | — | — | |
| SCHEMBL6972390 | 0.75 | — | — | |
| SCHEMBL6889293 | 0.73 | — | — | |
| SCHEMBL17654515 | 0.73 | — | — | |
| SCHEMBL6971167 | 0.73 | — | — | |
| SCHEMBL6970957 | 0.73 | CYP1A2 (0.40) | — | |
| SCHEMBL6959622 | 0.71 | — | — | |
| SCHEMBL6966384 | 0.71 | — | — | |
| SCHEMBL10112216 | 0.71 | — | — | |
| SCHEMBL376341 | 0.71 | — | — |
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-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |