⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL510759 | 0.83 | HCAR2 (0.48) | — | |
| SCHEMBL1062134 | 0.83 | HCAR2 (0.48) | — | |
| SCHEMBL510760 | 0.83 | HCAR2 (0.48) | — | |
| SCHEMBL6550720 | 0.82 | HCAR2 (0.39) | — | |
| SCHEMBL18215294 | 0.82 | HCAR2 (0.39) | — | |
| SCHEMBL18215271 | 0.82 | HCAR2 (0.39) | — | |
| SCHEMBL7002370 | 0.82 | FAAH (0.36) | — | |
| SCHEMBL1881287 | 0.82 | HCAR2 (0.39) | — | |
| SCHEMBL7053037 | 0.81 | — | — | |
| SCHEMBL6797453 | 0.81 | CYP19A1 (0.38) | — |
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 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024120467-A1 | PHOSPHORAMIDATE MONOSACCHARIDES, PHARMACEUTICAL COMPOSITIONS, AND DIAGNOSTIC AND THERAPEUTIC APPLICATIONS | SURIO THERAPEUTICS CO. LTD (CN) | 2024-06-13 | — | — | WO | disclosed |
| WO-2023176458-A1 | DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND | 石原産業株式会社 | 2023-09-21 | — | — | WO | disclosed |
| 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-20160050930-A1 | METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS | SYNGENTA LIMITED (UK) | 2016-02-25 | — | — | US | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |
| EP-0626370-A1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-11-30 | — | — | EP | disclosed |
| EP-0604491-A1 | SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES | BASF Aktiengesellschaft (DE) | 1994-07-06 | — | — | EP | disclosed |
| WO-1993022280-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |
| WO-1993006090-A1 | SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-01 | — | — | WO | disclosed |
| EP-0361255-B1 | LIQUID-CRYSTAL MIXTURES CONTAINING AZULENE SQUARE ACID DYE | BASF Aktiengesellschaft (DE) | 1992-11-19 | — | — | EP | disclosed |
| US-5084592-A | Dyes for optical recording media | BASF AKTIENGESELLSCHAFT (DE) | 1992-01-28 | — | — | US | disclosed |
| US-5071588-A | Solubility; dichromism; ensures optimal absorption of wiring laser | BASF AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | disclosed |
| EP-0361255-A1 | Liquid-crystal mixtures containing azulene square acid dye | BASF Aktiengesellschaft (DE) | 1990-04-04 | — | — | EP | disclosed |
| EP-0310080-A2 | Azulene-squarillic dyes, azulenes as their intermediary products, and optical recording medium | BASF Aktiengesellschaft (DE) | 1989-04-05 | — | — | EP | disclosed |