⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29954338 | 0.79 | PGR (0.33) | — | |
| SCHEMBL31336957 | 0.73 | — | — | |
| SCHEMBL498281 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL17398210 | 0.62 | CYP2A6 (0.39) | — | |
| SCHEMBL12729993 | 0.62 | — | — | |
| SCHEMBL1914194 | 0.61 | HDAC8 (0.32) | — | |
| SCHEMBL20221148 | 0.58 | HDAC8 (0.30) | — | |
| SCHEMBL18873199 | 0.57 | KDM4E (0.35) | — | |
| SCHEMBL14275170 | 0.56 | GPR35 (0.34) | — | |
| SCHEMBL1747212 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115260172-A | Aryl vinyl lactone compound and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2022-11-01 | — | — | CN | disclosed |