⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5519 | 0.94 | — | — | |
| SCHEMBL27895990 | 0.90 | — | — | |
| SCHEMBL28795138 | 0.88 | — | — | |
| SCHEMBL5047150 | 0.88 | ALDH1A1 (0.43) | — | |
| SCHEMBL150256 | 0.88 | — | — | |
| SCHEMBL201000 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL6653852 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL200022 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL145252 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL6650887 | 0.80 | THRB (0.39) | — |
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-110087469-A | Molecule and relative intermediate, composition and method with certain desinsection effectiveness | 美国陶氏益农公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-110003118-A | The method for preparing carboxylic ester derivative | 阿达玛马克西姆股份有限公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-109906033-A | Molecules having certain pesticidal utility, and intermediates, compositions, and methods related thereto | 美国陶氏益农公司 | 2019-06-18 | — | — | CN | disclosed |
| CN-108812681-A | Pesticidal compositions and methods related thereto | 美国陶氏益农公司 | 2018-11-16 | — | — | CN | disclosed |
| CN-104884062-B | N- (substituted) -5-fluoro-4-imino-3-methyl-2-oxo-3, 4-dihydropyrimidine-1 (2h) -carboxamide derivatives | 阿达玛马克西姆股份有限公司 | 2018-11-06 | — | — | CN | disclosed |
| CN-104994859-B | 1- (substituted benzoyl) -5-fluoro-4-imino-3-methyl-3, 4-dihydropyrimidin-2 (1H) -one derivatives | 阿达玛马克西姆股份有限公司 | 2018-10-26 | — | — | CN | disclosed |
| CN-104883884-B | Synergistic fungicidal mixtures for the fungus control in cereal | 美国陶氏益农公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-107573295-A | Molecule and intermediate, composition and its correlation technique with certain agricultural chemicals effectiveness | 美国陶氏益农公司 | 2018-01-12 | — | — | CN | disclosed |
| CN-105209450-B | Molecules and intermediates having pesticidal utility, compositions and methods relating thereto | 美国陶氏益农公司 | 2017-10-20 | — | — | CN | disclosed |
| CN-103826452-B | Pesticidal compositions and processes related thereto | 陶氏益农公司 | 2017-02-01 | — | — | CN | disclosed |
| CN-103281901-B | Pesticidal compositions and methods related thereto | 陶氏益农公司 | 2016-12-28 | — | — | CN | disclosed |
| CN-106165684-A | Pesticidal compositions and methods relating thereto | 陶氏益农公司 | 2016-11-30 | — | — | CN | disclosed |
| CN-103748089-B | Pesticidal compositions and methods relating thereto | 陶氏益农公司 | 2016-08-17 | — | — | CN | disclosed |