⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14221448 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL4970128 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL4970132 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL14299521 | 0.72 | — | — | |
| SCHEMBL29155819 | 0.72 | — | — | |
| SCHEMBL13427491 | 0.72 | — | — | |
| SCHEMBL24944503 | 0.69 | — | — | |
| SCHEMBL17344810 | 0.69 | — | — | |
| SCHEMBL14515596 | 0.69 | — | — | |
| SCHEMBL29027375 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6774099-B1 | ALKYLARYLSULFONATE SURFACTANTS | THE PROCTER & GAMBLE COMPANY | 2004-08-10 | — | — | US | claimed |
| US-6498134-B1 | DIFFER FROM HIGHLY BRANCHED NONBIODEGRADABLE, ?HARD? ALKYL-BENZENESULFONATES AND DIFFER ALSO FROM LINEAR ALKYL-BENZENESULFONATES WHICH HAVE REPLACED THEM SO-CALLED ?HIGH 2-PHENYL? TYPES; STABLE AT LOW TEMPERATURE, GREASE REMOVAL | THE PROCTER & GAMBLE COMPANY | 2002-12-24 | — | — | US | claimed |
| CN-111954698-B | Aqueous coating composition | 陶氏环球技术有限责任公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-113195213-A | Composite article for thermal insulation appliance, appliance comprising composite article and related method | 陶氏巴西东南工业有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-109957087-B | Cationic polyurethane-polyurea aqueous dispersion, preparation method and application thereof | 万华化学（宁波）有限公司 | 2021-02-02 | — | — | CN | disclosed |
| CN-111954698-A | Aqueous coating composition | 陶氏环球技术有限责任公司 | 2020-11-17 | — | — | CN | disclosed |
| CN-107955126-B | Aqueous dispersion of polyurethane-polyurea polyol and preparation method thereof | 万华化学（宁波）有限公司 | 2020-08-28 | — | — | CN | disclosed |
| CN-111548759-A | Thermo-reversible adhesive material | 文登卡尔马斯特电子有限公司 | 2020-08-18 | — | — | CN | disclosed |