⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5905985 | 0.69 | — | — | |
| SCHEMBL5906075 | 0.63 | — | — | |
| SCHEMBL6959853 | 0.62 | — | — | |
| SCHEMBL207784 | 0.60 | — | — | |
| SCHEMBL271109 | 0.55 | — | — | |
| SCHEMBL10958995 | 0.55 | — | — | |
| SCHEMBL13979899 | 0.55 | — | — | |
| SCHEMBL10445075 | 0.55 | — | — | |
| Trimethylammonium SCHEMBL27648997 | 0.52 | — | — | |
| SCHEMBL613886 | 0.52 | — | — |
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 |