⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL464818 | 0.85 | — | — | |
| SCHEMBL25294469 | 0.85 | — | — | |
| SCHEMBL29037984 | 0.84 | — | — | |
| SCHEMBL29265229 | 0.81 | — | — | |
| SCHEMBL29164109 | 0.80 | — | — | |
| SCHEMBL5548724 | 0.78 | — | — | |
| SCHEMBL2722379 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL29062326 | 0.71 | — | — | |
| SCHEMBL28389533 | 0.71 | — | — | |
| SCHEMBL29062276 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114621048-B | Production process for reducing impurity dichlorobenzene in chlorobenzene | 安徽东至广信农化有限公司 | 2023-06-27 | — | — | CN | claimed |
| CN-116874655-A | Adhesion promoter for industrial paint and preparation method thereof | 广州聚佳新材料科技有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-116496614-A | PU transfer film based on carbon black material and production process thereof | 昆山华阳新材料股份有限公司 | 2023-07-28 | — | — | CN | disclosed |