⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4820307 | 0.74 | — | — | |
| SCHEMBL4813741 | 0.70 | — | — | |
| SCHEMBL1527955 | 0.70 | — | — | |
| SCHEMBL6658112 | 0.67 | — | — | |
| SCHEMBL27697512 | 0.67 | — | — | |
| SCHEMBL6957607 | 0.67 | — | — | |
| SCHEMBL6957603 | 0.67 | — | — | |
| Trichloroethylene SCHEMBL11612308 | 0.64 | TSHR (0.67) | — | |
| SCHEMBL2911225 | 0.63 | — | — | |
| SCHEMBL16264878 | 0.63 | — | — |
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 |