⚠ 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 SCHEMBL27741846 | 0.97 | ALDH1A1 (0.65) | — | |
| Butyl Alcohol SCHEMBL27256510 | 0.97 | ALDH1A1 (0.65) | — | |
| Butyl Alcohol SCHEMBL27720982 | 0.97 | ALDH1A1 (0.65) | — | |
| Tert-Butanol SCHEMBL27720987 | 0.89 | ALDH1A1 (0.55) | — | |
| Cetyl Alcohol SCHEMBL27475899 | 0.88 | TSHR (0.72) | — | |
| Cetyl Alcohol SCHEMBL27479769 | 0.88 | TSHR (0.72) | — | |
| Tridecan-1-Ol SCHEMBL5174044 | 0.88 | TSHR (0.72) | — | |
| Butyl Alcohol SCHEMBL1052989 | 0.88 | — | — | |
| Isobutanol SCHEMBL27741853 | 0.87 | ALDH1A1 (0.52) | — | |
| Butyl Alcohol SCHEMBL11050931 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104869975-B | Acrylic resin emulsion for hair styling agent, hair styling agent containing the same, and hair styling method | 日本合成化学工业株式会社 | 2018-09-07 | — | — | CN | disclosed |
| CN-104884550-B | Aqueous inkjet ink is with acrylic resin emulsion and uses its aqueous jet ink composition | 日本涂料树脂株式会社 | 2017-07-11 | — | — | CN | disclosed |
| CN-106068117-A | Hair mousse acrylic resin emulsion and containing its hair mousse and method of haircuting | 日本合成化学工业株式会社 | 2016-11-02 | — | — | CN | disclosed |
| US-7091155-B2 | Catalyst for ester production and process for producing ester | CHISSO CORPORATION (JP) | 2006-08-15 | — | — | US | disclosed |
| US-20040242917-A1 | Catalyst for ester production and process for producing ester | CHISSO CORPORATION (JP) | 2004-12-02 | — | — | US | disclosed |