⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6958470 | 0.61 | — | — | |
| SCHEMBL6964367 | 0.61 | — | — | |
| SCHEMBL271320 | 0.61 | — | — | |
| Chloroform SCHEMBL7757527 | 0.59 | — | — | |
| Chloroform SCHEMBL21611710 | 0.53 | — | — | |
| Benzene SCHEMBL28114167 | 0.50 | LMNA (0.36) | — | |
| SCHEMBL4330095 | 0.50 | — | — | |
| SCHEMBL1686574 | 0.49 | — | — | |
| SCHEMBL5802904 | 0.46 | — | — | |
| SCHEMBL2869521 | 0.46 | — | — |
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 |