⚠ 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 | |
|---|---|---|---|---|
| 3-Methyl-(E)-2-Butenal SCHEMBL28327622 | 1.00 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28109738 | 0.96 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL16862200 | 0.96 | ALDH1A1 (0.43) | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL250376 | 0.96 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28368643 | 0.92 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL27957860 | 0.92 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28076322 | 0.92 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL11070534 | 0.86 | ALDH1A1 (0.39) | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28225138 | 0.86 | ALDH1A1 (0.39) | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28678511 | 0.81 | ALDH1A1 (0.36) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114599344-A | Non-drip cleansing mask with enhanced active deposition | 莱雅公司 | 2022-06-07 | — | — | CN | claimed |
| CN-114931526-A | Skin care product for rapidly improving skin condition and using method thereof | 言颜信息科技(上海)有限公司 | 2022-08-23 | — | — | CN | disclosed |
| CN-113559083-A | Lipid microcapsules comprising a retinoid | 盖尔德马研究及发展公司 | 2021-10-29 | — | — | CN | disclosed |
| CN-110251406-B | Sunscreen spray | 广州艾蓓生物科技有限公司 | 2021-08-03 | — | — | CN | disclosed |
| CN-110897906-A | Skin barrier repair composition and application thereof | 天津郁美净集团有限公司 | 2020-03-24 | — | — | CN | disclosed |
| CN-110868999-A | Light and beautiful sunscreen composition | 强生消费者公司 | 2020-03-06 | — | — | CN | disclosed |
| CN-107771190-A | Method for preparing polymer based on acryloyl dimethyl taurate and neutral monomer | 科莱恩国际有限公司 | 2018-03-06 | — | — | CN | disclosed |
| US-20050171131-A1 | Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists | KOSOGOF CHRISTI (US) | 2005-08-04 | — | — | US | disclosed |
| CN-1607946-A | Gel comprising at least one retinoid and benzoyl peroxide | GALDERMA RES AND DEV SNC (FR) | 2005-04-20 | — | — | CN | disclosed |
| US-5726128-A | Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-03-10 | — | — | US | disclosed |
| US-5723412-A | HERBICIDES | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-03-03 | — | — | US | disclosed |
| EP-0707001-A1 | Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1996-04-17 | — | — | EP | disclosed |
| EP-0694538-A2 | 2-benzyloxy-4-phenoxypyrimidine derivative, processes for producing the derivative and herbicidal composition containing the derivative | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1996-01-31 | — | — | EP | disclosed |