⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4540627 | 0.78 | — | — | |
| SCHEMBL2907961 | 0.75 | — | — | |
| SCHEMBL132526 | 0.73 | — | — | |
| SCHEMBL15988622 | 0.73 | — | — | |
| Tert-Butanol SCHEMBL9931582 | 0.71 | HDAC3 (0.33) | — | |
| SCHEMBL9575315 | 0.71 | — | — | |
| SCHEMBL23799322 | 0.71 | — | — | |
| SCHEMBL21582194 | 0.71 | — | — | |
| SCHEMBL5152719 | 0.71 | — | — | |
| SCHEMBL5152723 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1790628-B1 | METHOD FOR PRODUCING UNSATURATED VICINAL DIOL COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2012-08-01 | — | — | EP | disclosed |
| US-7459588-B2 | Method for producing unsaturated vicinal diol compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-12-02 | — | — | US | disclosed |
| US-20080114185-A1 | Method for Producing Unsaturated Vicinal Diol Compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-05-15 | — | — | US | disclosed |
| EP-1790628-A1 | METHOD FOR PRODUCING UNSATURATED VICINAL DIOL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2007-05-30 | — | — | EP | disclosed |