Benzoic Acid

Benzoic Acid

SCHEMBL108980

C[N+](C)(C)C.O=C([O-])c1ccccc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Benzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.76
CA4 P22748 1/20 0.76
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
TSHR P16473 3/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
ALDH1A1 P00352 1/20 0.48
USP2 O75604 1/20 0.47
CA1 P00915 10/20 0.46
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
PARP1 P09874 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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.

Compoundsimilaritytop predictedshared targets
Benzoic Acid SCHEMBL158696 0.92 CA2 (0.80) CA2CA4CES2CES1TSHR
Benzoic Acid SCHEMBL3667327 0.90 CA2 (0.84) CA2CA4CES2CES1TSHR
Benzoic Acid SCHEMBL28860848 0.90 CA2 (0.94) CA2CA4CES2CES1TSHR
Benzoic Acid SCHEMBL11789341 0.89 CA2 (0.94) CA2CA4CES2CES1TSHR
Benzoic Acid SCHEMBL27345977 0.87 CA2 (0.90) CA2CA4CES2CES1TSHR
Benzoic Acid SCHEMBL5072459 0.87 CA2 (0.80) CA2CA4CES2CES1TSHR
Benzoic Acid SCHEMBL28337190 0.87 CA2 (0.80) CA2CA4CES2CES1TSHR
Benzoic Acid SCHEMBL11740323 0.87 CA2 (0.80) CA2CA4CES2CES1TSHR
Benzoic Acid SCHEMBL12476955 0.87 CA2 (0.89) CA2CA4CES2CES1TSHR
Benzoic Acid SCHEMBL188041 0.87 CA2 (0.89) CA2CA4CES2CES1TSHR

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 693 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108148394-B Storage-stable one-component polyurethane prepregs from polyurethane compositions and moldings produced therefrom 赢创运营有限公司 2021-12-28 CN claimed
EP-3330311-B1 STORAGE STABLE 1K-POLYURETHANE-PREPREGS AND MOULDED ARTICLE MADE FROM SAME ON THE BASIS OF A POLYURETHANE COMPOSITION EVONIK OPERATIONS GMBH (DE) 2021-05-05 EP claimed
US-10633519-B2 Storage-stable polyurethane prepregs and mouldings produced therefrom composed of a polyurethane composition with liquid resin components EVONIK OPERATIONS GMBH (DE) 2020-04-28 US claimed
US-10626236-B2 Storage-stable one-component polyurethane prepregs and shaped bodies composed of polyurethane composition that have been produced therefrom EVONIK OPERATIONS GMBH (DE) 2020-04-21 US claimed
EP-3548575-A1 ABRASION RESISTANT COATING COMPOSITION WITH INORGANIC METAL OXIDES Momentive Performance Materials Inc. (US) 2019-10-09 EP claimed
WO-2018102510-A1 ABRASION RESISTANT COATING COMPOSITION WITH INORGANIC METAL OXIDES MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2018-06-07 WO claimed
US-20180155515-A1 STORAGE-STABLE ONE-COMPONENT POLYURETHANE PREPREGS AND SHAPED BODIES COMPOSED OF POLYURETHANE COMPOSITION THAT HAVE BEEN PRODUCED THEREFROM EVONIK OPERATIONS GMBH (DE) 2018-06-07 US claimed
EP-3330311-A1 STORAGE STABLE 1K-POLYURETHANE-PREPREGS AND MOULDED ARTICLE MADE FROM SAME ON THE BASIS OF A POLYURETHANE COMPOSITION Evonik Degussa GmbH (DE) 2018-06-06 EP claimed
US-20180148601-A1 ABRASION RESISTANT COATING COMPOSITION WITH INORGANIC METAL OXIDES MOMENTIVE PERFORMANCE MATERIALS INC. 2018-05-31 US claimed
EP-2641924-B1 Non-aqueous coating agent which hardens at room temperature EVONIK DEGUSSA GMBH (DE) 2018-05-02 EP claimed
US-20050096451-A1 High-reactivity liquid polyurethane systems which contain uretdione groups and can be cured at a low temperature DEGUSSA AG (DE) 2005-05-05 US claimed
US-20050096450-A1 Low temperature curable polyurethane compositions containing uretdione groups DEGUSSA AG (DE) 2005-05-05 US claimed
EP-1522548-A1 Uretdione-group-containing polyurethane compositions which are cross-linkable at low temperatures Degussa AG (DE) 2005-04-13 EP claimed
EP-1522547-A1 Highly reactive liquid uretdione groups-containing polyurethane systems which are curable at low temperature Degussa AG (DE) 2005-04-13 EP claimed
US-20050003206-A1 Solid polyurethane powder coating compositions containing uretdione groups that are hardenable at low temperatures DEGUSSA AG (DE) 2005-01-06 US claimed
EP-1475399-A1 Solid polyurethane powder coatings compositions containing uretdione groups and curable at low temperature Degussa AG (DE) 2004-11-10 EP claimed
US-6462005-B1 AQUEOUS SOLUTION CONTAINING A QUARTERNARY AMMONIUM SALT, A FLUORO COMPOUND AND OPTIONALLY AN ORGANIC SOLVENT; PROTECTING DEPOSITION FILM TO BE REMOVED; NO CORROSION OF CONDUCTIVE LAYER BEING DECONTAMINATED TEXAS INSTRUMENTS INCORPORATED 2002-10-08 US claimed
US-5972862-A COMPRISING A FLUORINE-CONTAINING COMPOUND, A WATER-SOLUBLE OR WATER-MISCIBLE ORGANIC SOLVENT, AN ORGANIC ACID, AND A QUATERNARY AMMONIUM SALT MITSUBISHI GAS CHEMICAL (JP) 1999-10-26 US claimed
US-5393386-A Method for preparing aqueous quaternary ammonium hydroxide solution MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-02-28 US claimed
US-4885115-A Liquid electrolyte for use in electrolytic capacitor NIPPON CHEMI-CON CORPORATION (JP) 1989-12-05 US claimed