⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2226271 | 0.84 | — | — | |
| SCHEMBL6662116 | 0.75 | — | — | |
| SCHEMBL5609188 | 0.70 | — | — | |
| SCHEMBL134504 | 0.64 | — | — | |
| SCHEMBL15738085 | 0.64 | — | — | |
| Bicarbonate SCHEMBL11000219 | 0.63 | TDP1 (0.31) | — | |
| SCHEMBL5689470 | 0.60 | — | — | |
| SCHEMBL17661769 | 0.60 | — | — | |
| SCHEMBL13863421 | 0.60 | — | — | |
| SCHEMBL83224 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117105200-A | Method for repairing pyrolytic carbon material defect by coupling agent | 牛百顿(福州)科技有限公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-111094416-B | Composition for moisture curing silane-functionalized vinylic polymers comprising a tin-based catalyst and titanium dioxide | 陶氏环球技术有限责任公司 | 2022-12-30 | — | — | CN | disclosed |