⚠ 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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL48476 | 0.96 | — | — | |
| Butyl Alcohol SCHEMBL10697863 | 0.96 | — | — | |
| Butyl Alcohol SCHEMBL28251078 | 0.96 | — | — | |
| Butyl Alcohol SCHEMBL502753 | 0.96 | — | — | |
| Butyl Alcohol SCHEMBL15543493 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL9548063 | 0.92 | ALDH1A1 (0.85) | — | |
| Butyl Alcohol SCHEMBL6880155 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL4295139 | 0.92 | ALDH1A1 (0.85) | — | |
| Butyl Alcohol SCHEMBL5808888 | 0.92 | — | — | |
| Hexane SCHEMBL9187513 | 0.92 | ALDH1A1 (0.85) | — |
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-1507789-B1 | SYNTHESIS OF PURIFIED, PARTIALLY ESTERIFIED POLYOL POLYESTER FATTY ACID COMPOSITIONS | PROCTER & GAMBLE (US) | 2012-01-11 | — | — | EP | claimed |