⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15711670 | 0.68 | — | — | |
| SCHEMBL649428 | 0.67 | — | — | |
| SCHEMBL12639997 | 0.65 | — | — | |
| SCHEMBL733425 | 0.65 | — | — | |
| SCHEMBL5635905 | 0.65 | — | — | |
| SCHEMBL2264884 | 0.62 | — | — | |
| SCHEMBL945094 | 0.62 | — | — | |
| SCHEMBL30899744 | 0.62 | — | — | |
| SCHEMBL10999251 | 0.62 | — | — | |
| Carbon Dioxide SCHEMBL7568877 | 0.62 | — | — |
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 |