⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL945094 | 0.73 | — | — | |
| SCHEMBL572012 | 0.66 | — | — | |
| SCHEMBL10614237 | 0.63 | — | — | |
| SCHEMBL11471070 | 0.63 | — | — | |
| SCHEMBL9877 | 0.63 | — | — | |
| Acetone SCHEMBL28910746 | 0.61 | LMNA (0.60) | — | |
| Acetone SCHEMBL27500056 | 0.61 | LMNA (0.60) | — | |
| Acetone SCHEMBL8650837 | 0.61 | — | — | |
| SCHEMBL6859073 | 0.60 | — | — | |
| Acetic Acid SCHEMBL28239096 | 0.58 | — | — |
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 |