⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL77333 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28545896 | 0.89 | — | — | |
| SCHEMBL29044678 | 0.89 | — | — | |
| SCHEMBL8209648 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL648520 | 0.89 | — | — | |
| Alcohol SCHEMBL29833660 | 0.80 | ALDH1A1 (0.55) | — | |
| Ethylamine SCHEMBL28675267 | 0.80 | — | — | |
| SCHEMBL78390 | 0.67 | — | — | |
| SCHEMBL18050339 | 0.67 | — | — | |
| SCHEMBL465445 | 0.67 | — | — |
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-112105653-B | Polyethylene and chlorinated polyethylene thereof | LG化学株式会社 | 2023-09-19 | — | — | CN | disclosed |
| CN-209428599-U | Gas cylinder flow path monitoring system | 捷苙科技股份有限公司 | 2019-09-24 | — | — | CN | disclosed |