⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23440242 | 1.00 | — | — | |
| SCHEMBL28329919 | 0.90 | OPRM1 (0.30) | — | |
| SCHEMBL21708345 | 0.87 | — | — | |
| SCHEMBL21708247 | 0.86 | — | — | |
| SCHEMBL21708245 | 0.86 | — | — | |
| SCHEMBL16667775 | 0.83 | — | — | |
| SCHEMBL16667774 | 0.83 | — | — | |
| SCHEMBL16859694 | 0.80 | — | — | |
| SCHEMBL21708317 | 0.79 | — | — | |
| SCHEMBL4305268 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3609928-B1 | DIENE ELASTOMER MODIFIED BY A GROUP COMPRISING A SILICON ATOM, PROCESS FOR THE SYNTHESIS THEREOF AND RUBBER COMPOSITION CONTAINING SAME | MICHELIN & CIE (FR) | 2021-06-09 | — | — | EP | disclosed |