⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27641710 | 0.72 | — | — | |
| SCHEMBL24595258 | 0.71 | TDP1 (0.36) | — | |
| SCHEMBL18573377 | 0.69 | — | — | |
| SCHEMBL1033028 | 0.69 | — | — | |
| SCHEMBL12319836 | 0.68 | — | — | |
| SCHEMBL725434 | 0.67 | — | — | |
| SCHEMBL511232 | 0.65 | — | — | |
| Charcoal, Activated SCHEMBL9006572 | 0.65 | — | — | |
| SCHEMBL12536115 | 0.63 | — | — | |
| SCHEMBL27641809 | 0.63 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108472267-A | Compounds and methods for inhibiting trimethylamine production | 宝洁公司 | 2018-08-31 | — | — | CN | claimed |
| CN-108369907-A | Liquid composition for imparting alcohol repellency to semiconductor substrate material and method for surface treatment of semiconductor substrate using the same | 三菱瓦斯化学株式会社 | 2018-08-03 | — | — | CN | claimed |
| CN-106554367-B | A kind of phosphate dispersant of the group containing active termination | 常州领景新材料科技有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-109721613-A | Macro-cyclic amide compound and its pharmaceutical composition and purposes containing quaternary ammonium ion | 四川科伦博泰生物医药股份有限公司 | 2019-05-07 | — | — | CN | disclosed |
| CN-109608489-A | The phthalonitrile-terminated siliceous poly (arylene ether nitrile) oligomer of one kind, its solidfied material and the preparation method and application thereof | 中国科学院化学研究所 | 2019-04-12 | — | — | CN | disclosed |
| CN-108472267-A | Compounds and methods for inhibiting trimethylamine production | 宝洁公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-108369907-A | Liquid composition for imparting alcohol repellency to semiconductor substrate material and method for surface treatment of semiconductor substrate using the same | 三菱瓦斯化学株式会社 | 2018-08-03 | — | — | CN | disclosed |
| CN-105072906-B | Substituted 4-cyano-3- (pyridyl) -4-phenylbutyrates, method for the production thereof and use thereof as herbicides and plant growth regulators | 拜耳作物科学股份公司 | 2018-01-12 | — | — | CN | disclosed |
| CN-103764606-B | Ethers of dimethylolcyclohexane | 巴斯夫欧洲公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-103717604-B | Replace aminooimidazole and pyridazine | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-06-01 | — | — | CN | disclosed |
| CN-104284896-B | Substituted imidazopyridazines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-06-01 | — | — | CN | disclosed |
| CN-1075716-A | The drying of plant materials part and the method that comes off | BASF AG (DE) | 1993-09-01 | — | — | CN | disclosed |