⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1679888 | 0.81 | — | — | |
| SCHEMBL4578585 | 0.69 | — | — | |
| SCHEMBL1148747 | 0.69 | — | — | |
| SCHEMBL910214 | 0.69 | — | — | |
| SCHEMBL23993499 | 0.67 | — | — | |
| SCHEMBL15139542 | 0.67 | — | — | |
| SCHEMBL9645799 | 0.67 | — | — | |
| SCHEMBL3922740 | 0.67 | — | — | |
| SCHEMBL4154166 | 0.67 | — | — | |
| SCHEMBL1679931 | 0.67 | — | — |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8802898-B2 | Isomerization of β-keto-allenes | DSM IP ASSETS B.V. (NL) | 2014-08-12 | — | — | US | claimed |
| EP-2560940-B1 | ISOMERIZATION OF BETA-KETO-ALLENES | DSM IP ASSETS BV (NL) | 2014-03-05 | — | — | EP | claimed |
| US-20130197272-A1 | ISOMERIZATION OF BETA-KETO-ALLENES | DSM IP ASSETS B.V. (NL) | 2013-08-01 | — | — | US | claimed |
| EP-2560940-A1 | ISOMERIZATION OF BETA-KETO-ALLENES | DSM IP Assets B.V. (NL) | 2013-02-27 | — | — | EP | claimed |
| WO-2011131607-A1 | ISOMERIZATION OF β-KETO-ALLENES | DSM IP ASSETS B.V. (NL) | 2011-10-27 | — | — | WO | claimed |
| EP-2686296-B1 | SUBSTITUTED 4-CYAN-3-(2,6-DIFLUOROPHENYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2018-09-26 | — | — | EP | disclosed |
| EP-2693878-B1 | SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER IP GMBH (DE) | 2018-06-27 | — | — | EP | disclosed |
| EP-2934136-B1 | SUBSTITUTED 4-CYAN-3-(PYRIDYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USES AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2018-03-14 | — | — | EP | 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-102239166-B | Substituted 1- (thiazolyl) -and 1- (isothiazolyl) pyrazol-4-ylacetic acids, method for the production thereof and use thereof | 拜耳知识产权有限责任公司 | 2017-10-13 | — | — | CN | disclosed |
| US-9661848-B2 | Substituted 4-cyan-3-(pyridyl)-4-phenylbutanoates, method for the production thereof and uses as herbicides and plant growth regulators | BAYER CROPSCIENCE AG (DE) | 2017-05-30 | — | — | US | disclosed |
| CN-103889954-B | 4 cyano group 3 phenyl 4 (the pyridine 3 base) butyrates that are replaced, they preparation method and as herbicide and the purposes of plant growth regulator | 拜耳知识产权有限责任公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-1993328-A | Quinoline derivative and insecticide containing same as active constituent | MEIJI SEIKA KAISHA (JP) | 2007-07-04 | — | — | CN | disclosed |
| US-7223769-B2 | Pyrimidine compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-29 | — | — | US | disclosed |
| EP-1780202-A1 | QUINOLINE DERIVATIVE AND INSECTICIDE CONTAINING SAME AS ACTIVE CONSTITUENT | MEIJI SEIKA KAISHA LTD. (JP) | 2007-05-02 | — | — | EP | disclosed |
| EP-1483249-B1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2006-09-06 | — | — | EP | disclosed |
| US-20050171130-A1 | Pyrimidine compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-08-04 | — | — | US | disclosed |
| CN-1639131-A | Pyrimidine compounds and their use as pesticides | SUMITOMO CHEMICAL CO (JP) | 2005-07-13 | — | — | CN | disclosed |
| EP-1483249-A1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES | Sumitomo Chemical Company, Limited (JP) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003076415-A1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-09-18 | — | — | WO | disclosed |