⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9810768 | 0.74 | — | — | |
| SCHEMBL15916117 | 0.73 | TRPM8 (0.31) | — | |
| SCHEMBL13714367 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL21814242 | 0.72 | LMNA (0.32) | — | |
| SCHEMBL14261175 | 0.70 | OPRM1 (0.32) | — | |
| SCHEMBL28290062 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL17735797 | 0.67 | — | — | |
| SCHEMBL17037178 | 0.67 | DNM1 (0.32) | — | |
| SCHEMBL11440372 | 0.67 | — | — | |
| SCHEMBL408489 | 0.66 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109641482-A | The preparation of the cis- -1,4- polydiene of multiple silane functionals with the Si―H addition reaction in situ preparation by polymer glue | 株式会社普利司通 | 2019-04-16 | — | — | CN | disclosed |