⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3733214 | 0.80 | — | — | |
| SCHEMBL128865 | 0.78 | — | — | |
| SCHEMBL11841915 | 0.74 | CA2 (0.48) | — | |
| SCHEMBL4483304 | 0.72 | — | — | |
| SCHEMBL4483305 | 0.72 | — | — | |
| SCHEMBL8324091 | 0.71 | CES2 (0.56) | — | |
| SCHEMBL8218773 | 0.70 | — | — | |
| SCHEMBL27264035 | 0.69 | — | — | |
| SCHEMBL6110717 | 0.67 | — | — | |
| SCHEMBL11105098 | 0.67 | ALDH1A1 (0.56) | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| EP-2773614-B1 | SUBSTITUTED 4.CYAN-3-(PHENYL-4-(PYRIDIN-3-YL) BUTANOATES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER IP GMBH (DE) | 2016-11-30 | — | — | EP | disclosed |
| EP-2794568-B1 | SUBSTITUTED 4-CYANO-3-PHENYL-4-(PYRIDIN-3-YL) BUTANOATES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER IP GMBH (DE) | 2016-03-23 | — | — | EP | disclosed |
| EP-2373648-B1 | SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YL ACETIC ACIDS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER IP GMBH (DE) | 2016-03-23 | — | — | EP | disclosed |
| US-20150327546-A1 | SUBSTITUTED 4-CYAN-3-(PYRIDYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USES AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2015-11-19 | — | — | US | disclosed |
| EP-2934136-A1 | SUBSTITUTED 4-CYAN-3-(PYRIDYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USES AS HERBICIDES AND PLANT GROWTH REGULATORS | Bayer CropScience AG (DE) | 2015-10-28 | — | — | EP | disclosed |
| US-9161537-B2 | Substituted 4-cyan-3-phenyl-4-(pyridine-3-yl)butanoates, processes for preparation thereof and use thereof as herbicides and plant growth regulators | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-10-20 | — | — | US | disclosed |
| EP-2373648-A1 | SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | Bayer CropScience AG (DE) | 2011-10-12 | — | — | EP | disclosed |
| WO-2011073098-A1 | 1-(HETEROARYL)-PYRAZOL-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | WO | disclosed |
| CN-102083818-A | Substituted 1-(diazinyl) pyrazole-4-yl-acetic acids, method for the production thereof, and use thereof as herbicides and plant growth regulators | BAYER CROPSCIENCE AG | 2011-06-01 | — | — | CN | disclosed |
| EP-2300458-A1 | SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | Bayer CropScience Aktiengesellschaft (DE) | 2011-03-30 | — | — | EP | disclosed |
| US-20100197501-A1 | SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2010-08-05 | — | — | US | disclosed |
| US-20100160164-A1 | SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2010-06-24 | — | — | US | disclosed |
| WO-2010063422-A1 | SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2010-06-10 | — | — | WO | disclosed |
| WO-2009152995-A1 | SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2009-12-23 | — | — | WO | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |