⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL645821 | 0.73 | — | — | |
| SCHEMBL28573204 | 0.69 | — | — | |
| SCHEMBL2897123 | 0.69 | — | — | |
| SCHEMBL4461414 | 0.69 | — | — | |
| SCHEMBL22655278 | 0.67 | — | — | |
| SCHEMBL7945776 | 0.67 | — | — | |
| SCHEMBL28566114 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL894183 | 0.65 | — | — | |
| Propene SCHEMBL29269135 | 0.65 | — | — | |
| SCHEMBL1905807 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3057974-B1 | VINYLSILANES FOR USE IN FUNCTIONALIZED ELASTOMERIC POLYMERS | TRINSEO EUROPE GMBH (CH) | 2017-12-06 | — | — | EP | disclosed |
| WO-2015055252-A1 | VINYLSILANES FOR USE IN FUNCTIONALIZED ELASTOMERIC POLYMERS | TRINSEO EUROPE GMBH (CH) | 2015-04-23 | — | — | WO | disclosed |