Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ASPH | Q12797 | 1/20 | 0.36 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL9899980 | 0.84 | KEAP1 (0.40) | CYP3A4KEAP1NFE2L2KDM4ETDP1 | |
| SCHEMBL10625969 | 0.83 | CYP3A4 (0.46) | CYP3A4KEAP1NFE2L2KDM4ETDP1 | |
| SCHEMBL8974977 | 0.81 | KEAP1 (0.53) | CYP3A4KEAP1NFE2L2KDM4EASPH | |
| SCHEMBL20045612 | 0.80 | CYP3A4 (0.50) | CYP3A4KEAP1NFE2L2KDM4ETDP1 | |
| SCHEMBL25293621 | 0.79 | KDM4E (0.46) | CYP3A4KEAP1NFE2L2KDM4ETDP1 | |
| SCHEMBL17914274 | 0.79 | CYP3A4 (0.64) | CYP3A4KEAP1KDM4ETDP1ALDH1A1 | |
| SCHEMBL4502539 | 0.78 | KEAP1 (0.47) | CYP3A4KEAP1NFE2L2KDM4ETDP1 | |
| SCHEMBL8038276 | 0.76 | KEAP1 (0.48) | CYP3A4KEAP1NFE2L2KDM4EASPH | |
| SCHEMBL7596205 | 0.76 | KEAP1 (0.48) | CYP3A4KEAP1NFE2L2KDM4EASPH | |
| SCHEMBL10539386 | 0.76 | KEAP1 (0.48) | CYP3A4KEAP1NFE2L2KDM4ETDP1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6025125-A | — | — | None | — | — | JP | disclosed |
| CN-114656374-A | Synthesis method of 2, 4-dichloro-3-cyano-5-fluorobenzoic acid | 营口兴福化工有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-104744305-B | A kind of synthetic method of 2,4-bis-chloro-3-cyano group-5-fluobenzoic acid | 浙江中欣氟材股份有限公司 | 2016-08-10 | — | — | CN | disclosed |
| EP-1001929-B1 | METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID | BAYER AG (DE) | 2003-03-26 | — | — | EP | disclosed |
| EP-0968994-B1 | PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF | UBE INDUSTRIES (JP) | 2002-11-06 | — | — | EP | disclosed |
| US-6462218-B1 | BY HYDROLYTIC CLEAVAGE CARRIED OUT IN THE PRESENCE OF ACIDS AND WATER OF ITS AMIDE, ESTER OR CYANO DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| US-6307091-B1 | TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. | UBE INDUSTRIES, LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| US-6160171-A | Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same | UBE INDUSTRIES, LTD. (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-1001929-A1 | METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID | Bayer Aktiengesellschaft (DE) | 2000-05-24 | — | — | EP | disclosed |
| EP-0968994-A1 | SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES, LTD. (JP) | 2000-01-05 | — | — | EP | disclosed |
| WO-1999006360-A1 | METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 1999-02-11 | — | — | WO | disclosed |
| JP-H0625125-A | BENZOIC ACID DERIVATIVES | BAYER AG | 1994-02-01 | — | — | JP | disclosed |
| US-5190955-A | Bactericides, effective against antibiotic resistant germs | BAYER AKTIENGESELLSCHAFT (DE) | 1993-03-02 | — | — | US | disclosed |
| EP-0266512-B1 | METHOD FOR THE PRODUCTION OF BENZOIC ACID DERIVATIVES FLUORINATED ON THE NUCLEUS | BAYER AG (DE) | 1991-12-04 | — | — | EP | disclosed |
| US-5051418-A | Antibacterial 8-cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-24 | — | — | US | disclosed |
| US-4990661-A | Process for the preparation of benzoic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4908366-A | Bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1990-03-13 | — | — | US | disclosed |
| US-4851160-A | Process for the preparation of benzoic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-25 | — | — | US | disclosed |
| EP-0276700-A1 | 8-Cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them | BAYER AG (DE) | 1988-08-03 | — | — | EP | disclosed |
| EP-0266512-A2 | Method for the production of benzoic acid derivatives fluorinated on the nucleus | BAYER AG (DE) | 1988-05-11 | — | — | EP | disclosed |