⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31500444 | 0.98 | — | — | |
| SCHEMBL28299254 | 0.90 | — | — | |
| SCHEMBL6012887 | 0.84 | — | — | |
| SCHEMBL11579587 | 0.82 | — | — | |
| SCHEMBL11578780 | 0.82 | — | — | |
| SCHEMBL6403823 | 0.78 | — | — | |
| SCHEMBL6403826 | 0.78 | — | — | |
| SCHEMBL11789408 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL11593478 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL15525598 | 0.78 | — | — |
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-109195703-A | The catalyst composition of ligand based on chromium and based on phosphine and its purposes in the method for production octene | IFP 新能源公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-105579475-B | Low vinyl bond modified elastomeric copolymers | 盛禧奥欧洲有限责任公司 | 2018-11-02 | — | — | CN | disclosed |