⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2048247 | 0.85 | GAA (0.34) | — | |
| SCHEMBL2024934 | 0.84 | CYP3A4 (0.30) | — | |
| SCHEMBL21103067 | 0.77 | EPHX2 (0.35) | — | |
| SCHEMBL28625375 | 0.73 | KEAP1 (0.38) | — | |
| SCHEMBL9439471 | 0.71 | CYP3A4 (0.33) | — | |
| SCHEMBL28624847 | 0.71 | — | — | |
| SCHEMBL28628207 | 0.71 | — | — | |
| SCHEMBL21103465 | 0.70 | GAA (0.40) | — | |
| SCHEMBL21907925 | 0.70 | FPR3 (0.36) | — | |
| SCHEMBL28630264 | 0.70 | MEN1 (0.31) | — |
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-110088233-B | Effective curing agents for free-radical crosslinkable polymers | 阿科玛股份有限公司 | 2021-09-21 | — | — | CN | disclosed |