⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL20577997 | 0.95 | — | — | |
| SCHEMBL1112351 | 0.89 | — | — | |
| SCHEMBL21859 | 0.89 | — | — | |
| SCHEMBL1112353 | 0.89 | — | — | |
| SCHEMBL11529479 | 0.89 | — | — | |
| SCHEMBL28754303 | 0.89 | — | — | |
| SCHEMBL1112581 | 0.84 | — | — | |
| SCHEMBL21378216 | 0.84 | — | — | |
| SCHEMBL1087506 | 0.84 | — | — | |
| Water SCHEMBL22608751 | 0.84 | — | — |
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-106336347-A | Novel method for synthesizing hydroxystilbenes | 中国科学院成都有机化学有限公司 | 2017-01-18 | — | — | CN | disclosed |