⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7697446 | 0.62 | OPRM1 (0.32) | — | |
| SCHEMBL8611285 | 0.62 | OPRM1 (0.40) | — | |
| SCHEMBL16743054 | 0.62 | CHRNB2 (0.36) | — | |
| SCHEMBL6547164 | 0.62 | — | — | |
| SCHEMBL6764301 | 0.61 | OPRM1 (0.31) | — | |
| SCHEMBL9495339 | 0.60 | — | — | |
| SCHEMBL11351751 | 0.57 | — | — | |
| SCHEMBL29030587 | 0.57 | SLC6A2 (0.31) | — | |
| SCHEMBL1772046 | 0.57 | — | — | |
| SCHEMBL17046890 | 0.56 | OPRM1 (0.32) | — |
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-108003348-B | Siloxane bridged ladder-shaped polysiloxane, preparation method and application thereof | 长兴（中国）投资有限公司 | 2021-02-23 | — | — | CN | disclosed |