⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5031020 | 0.88 | — | — | |
| SCHEMBL28274712 | 0.73 | — | — | |
| SCHEMBL994273 | 0.71 | — | — | |
| Styrene SCHEMBL28363532 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL28463215 | 0.64 | CYP2A13 (0.35) | — | |
| SCHEMBL28482227 | 0.64 | TSHR (0.30) | — | |
| SCHEMBL2304322 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL17105814 | 0.63 | TRPA1 (0.37) | — | |
| SCHEMBL11870659 | 0.63 | — | — | |
| Potassium Ion SCHEMBL11866550 | 0.63 | — | — |
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-117659715-A | High-voltage-resistant silica gel heat-shrinkable tube and preparation method thereof | 东莞市兴嘉电子科技有限公司 | 2024-03-08 | — | — | CN | disclosed |