⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27369352 | 0.97 | — | — | |
| Hydrogen Sulfide SCHEMBL5678861 | 0.97 | — | — | |
| Methylethylamine SCHEMBL27569654 | 0.86 | GRIN2D (0.30) | — | |
| SCHEMBL22605661 | 0.76 | ALPL (0.33) | — | |
| SCHEMBL27686633 | 0.76 | — | — | |
| SCHEMBL12166796 | 0.74 | SHBG (0.32) | — | |
| SCHEMBL3717151 | 0.74 | — | — | |
| SCHEMBL18098474 | 0.73 | — | — | |
| SCHEMBL12333679 | 0.73 | — | — | |
| SCHEMBL12453680 | 0.73 | — | — |
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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0718280-A2 | Derivatives of beta-aminopropionic acid with a fungicidal activity | ISAGRO RICERCA S.r.l. (IT) | 1996-06-26 | — | — | EP | 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 |
| 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-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 |
| 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 |
| 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 |
| 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 |
| 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 |
| EP-1941861-A1 | WRINKLE-IMPROVING AGENT | Shiseido Company, Limited (JP) | 2008-07-09 | — | — | EP | disclosed |
| EP-1880711-A1 | PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN | Shiseido Company, Limited (JP) | 2008-01-23 | — | — | EP | disclosed |
| US-7223769-B2 | Pyrimidine compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-29 | — | — | US | 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 |
| EP-0843967-B1 | Use of Beta-aminopropionic acid derivatives as fungicides | ISAGRO RICERCA SRL (IT) | 2000-04-05 | — | — | EP | disclosed |
| US-5856311-A | Derivatives of β-aminopropionic acid with a fungicidal activity | ISAGRO RICERCA SRL (IT) | 1999-01-05 | — | — | US | disclosed |
| EP-0843967-A1 | Use of Beta-aminopropionic acid derivatives as fungicides | ISAGRO RICERCA S.r.l. (IT) | 1998-05-27 | — | — | EP | disclosed |
| EP-0718280-A2 | Derivatives of beta-aminopropionic acid with a fungicidal activity | ISAGRO RICERCA S.r.l. (IT) | 1996-06-26 | — | — | EP | disclosed |