⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2709422 | 0.79 | GABRA1 (0.37) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3867909 | 0.79 | ELANE (0.34) | — | |
| SCHEMBL29206297 | 0.79 | FFAR4 (0.32) | — | |
| SCHEMBL2491325 | 0.63 | ATM (0.38) | — | |
| SCHEMBL2866693 | 0.62 | GABRA1 (0.45) | — | |
| SCHEMBL6271604 | 0.60 | CA1 (0.36) | — | |
| SCHEMBL1804829 | 0.58 | SRD5A2 (0.45) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6765037 | 0.57 | PTPN1 (0.38) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL29136447 | 0.57 | PTPN1 (0.38) | — | |
| SCHEMBL943149 | 0.57 | GABRA1 (0.54) | — |
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-113929906-B | Self-crosslinkable isocyanurate polymer and anti-reflection coating composition, preparation method thereof and pattern forming method | 厦门恒坤新材料科技股份有限公司 | 2023-07-04 | — | — | CN | disclosed |