⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1013020 | 1.00 | — | — | |
| SCHEMBL28350812 | 0.85 | HCAR2 (0.44) | — | |
| SCHEMBL29084262 | 0.84 | NFE2L2 (0.43) | — | |
| SCHEMBL28045540 | 0.83 | MAPT (0.56) | — | |
| SCHEMBL21126429 | 0.81 | TDP1 (0.46) | — | |
| SCHEMBL14790719 | 0.78 | NFE2L2 (0.52) | — | |
| SCHEMBL15962307 | 0.77 | — | — | |
| SCHEMBL17528621 | 0.77 | NFE2L2 (0.50) | — | |
| Dimethyl Fumarate SCHEMBL41836 | 0.76 | NFE2L2 (1.00) | — | |
| Dimethyl Maleate SCHEMBL75864 | 0.76 | NFE2L2 (1.00) | — |
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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2195284-B1 | PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES | BAYER IP GMBH (DE) | 2017-03-22 | — | — | EP | claimed |
| EP-2245001-B1 | Method for the production of 2-fluoroacyl-3-amino-acrylic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2013-03-20 | — | — | EP | claimed |
| US-8288582-B2 | Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2012-10-16 | — | — | US | claimed |
| US-8258335-B2 | Process for preparing 2-dihaloacyl-3-aminoacrylic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2012-09-04 | — | — | US | claimed |
| EP-1458670-B1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | SALTIGO GMBH (DE) | 2011-03-09 | — | — | EP | claimed |
| US-20100274049-A1 | Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2010-10-28 | — | — | US | claimed |
| US-20100204483-A1 | PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2010-08-12 | — | — | US | claimed |
| US-6706911-B1 | REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-16 | — | — | US | claimed |
| CN-118616103-A | Composition for preparing denitration catalyst, denitration catalyst and preparation method of denitration catalyst | 国能无锡环保科技有限公司 | 2024-09-10 | — | — | CN | disclosed |
| CN-118451170-A | Cleaning agent composition | 花王株式会社 | 2024-08-06 | — | — | CN | disclosed |
| CN-117756704-A | Intermediate compound and preparation method thereof, and preparation method of 4-trifluoromethyl nicotinic acid and derivative thereof | 帕潘纳(北京)科技有限公司 | 2024-03-26 | — | — | CN | disclosed |
| EP-2566334-B1 | CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS | PROLYNX LLC (US) | 2018-04-18 | — | — | EP | disclosed |
| EP-2566334-B1 | CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS | PROLYNX LLC (US) | 2018-04-18 | — | — | EP | disclosed |
| EP-2306986-B1 | PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES | PROLYNX LLC (US) | 2018-03-21 | — | — | EP | disclosed |
| US-5030747-A | Reacting beta-hydroxy acrylic acid salts with ammonium salts | BAYER AKTIENGESELLSCHAFT (DE) | 1991-07-09 | — | — | US | disclosed |
| US-4981990-A | FUNGICIDES | CIBA-GEIGY CORPORATION (US) | 1991-01-01 | — | — | US | disclosed |
| US-4812580-A | FROM A PHENACYLAMINE AND ACRYLONITRILE DERIVATIVE, CYCLIZATION, FUNGICIDES | CIBA-GEIGY CORPORATION (US) | 1989-03-14 | — | — | US | disclosed |
| US-4709053-A | FUNGICIDES | CIBA-GEIGY CORPORATION (US) | 1987-11-24 | — | — | US | disclosed |
| US-4699992-A | 3-amino-2-benzoylacrylic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1987-10-13 | — | — | US | disclosed |
| EP-0009566-B1 | 2-CYCLOALKYL-PYRIMIDIN(5)YL-(THIONO)(THIOL)-PHOSPHORIC (PHOSPHONIC)-ACID ESTER OR -ESTERAMIDES, PROCESS FOR THEIR PREPARATION AND USE AS INSECTICIDES, ACARICIDES AND NEMATICIDES | BAYER AG (DE) | 1981-09-09 | — | — | EP | disclosed |