⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10546328 | 0.87 | NLRP3 (0.31) | — | |
| SCHEMBL282671 | 0.75 | — | — | |
| SCHEMBL13525375 | 0.75 | — | — | |
| SCHEMBL282672 | 0.75 | — | — | |
| SCHEMBL8218055 | 0.71 | — | — | |
| SCHEMBL2532019 | 0.71 | — | — | |
| SCHEMBL11122198 | 0.71 | NLRP3 (0.32) | — | |
| SCHEMBL5667966 | 0.69 | — | — | |
| SCHEMBL13625330 | 0.69 | — | — | |
| SCHEMBL10438553 | 0.69 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016131590-A1 | MULTIVINYLAMINOSILANES AS BRANCHING AGENTS FOR FUNCTIONALIZED ELASTOMERIC POLYMERS | TRINSEO EUROPE GMBH (CH) | 2016-08-25 | — | — | WO | disclosed |