Benzoic Acid

Benzoic Acid

SCHEMBL114504

C[N+](C)(C)Cc1ccccc1.O=C([O-])c1ccccc1

nearest known ligand 0.61

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
TDP1 Q9NUW8 3/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CA2 P00918 3/20 0.57
CA4 P22748 1/20 0.57
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2D6 P10635 1/20 0.48
TAS2R10 Q9NYW0 1/20 0.48
ALPL P05186 1/20 0.47
POLB P06746 1/20 0.47
ALPG P10696 1/20 0.47
MDM2 Q00987 1/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
CA1 P00915 2/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
Terephthalic Acid SCHEMBL8092879 0.96 KDM4E (0.61) TDP1KDM4EALDH1A1CA2CA4
Terephthalic Acid SCHEMBL8434830 0.91 ALDH1A1 (0.55) TDP1KDM4EALDH1A1CA2CA4
Isophthalic Acid SCHEMBL8434395 0.91 TDP1 (0.55) TDP1KDM4EALDH1A1CA2CA4
SCHEMBL9134232 0.89 ALDH1A1 (0.52) TDP1KDM4EALDH1A1CA2CA4
Aminobenzoic Acid SCHEMBL5875024 0.89 KDM4E (0.52) TDP1KDM4EALDH1A1CA2CA4
Bicarbonate SCHEMBL988121 0.88 ALDH1A1 (0.71) TDP1KDM4EALDH1A1LMNAKMT2A
Bicarbonate SCHEMBL988119 0.88 ALDH1A1 (0.71) TDP1KDM4EALDH1A1LMNAKMT2A
Isophthalic Acid SCHEMBL11432859 0.87 KDM4E (0.50) TDP1KDM4EALDH1A1CA2CA4
Isophthalic Acid SCHEMBL8434399 0.87 KDM4E (0.50) TDP1KDM4EALDH1A1CA2CA4
Oxalic Acid SCHEMBL153608 0.86 ALDH1A1 (0.68) TDP1KDM4EALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3212682-B1 VULCANISABLE COMPOSITIONS COMPRISING ETHYLENE-VINYLACETATE-COPOLYMERS CONTAINING EPOXY GROUPS ARLANXEO DEUTSCHLAND GMBH (DE) 2019-01-09 EP 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-20170335037-A1 VULCANIZABLE COMPOSITIONS CONTAINING EPOXY GROUP-CONTAINING ETHYLENE-VINYL ACETATE COPOLYMERS ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-23 US claimed
EP-3212682-A1 VULCANIZABLE COMPOSITIONS CONTAINING EPOXY GROUP-CONTAINING ETHYLENE-VINYL ACETATE COPOLYMERS ARLANXEO Deutschland GmbH (DE) 2017-09-06 EP claimed
CN-107075024-A Include the curable compositions of the EVAc containing epoxy radicals 阿朗新科德国有限责任公司 2017-08-18 CN claimed
EP-2411439-B1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2016-11-16 EP claimed
US-8455090-B2 Prepegs and molded bodies produced thereof at low temperature EVONIK DEGUSSA GMBH (DE) 2013-06-04 US claimed
WO-2012130672-A1 STORAGE-STABLE POLYURETHANE PREPREGS AND MOLDED PARTS PRODUCED THEREFROM MADE OF POLYURETHANE COMPOSITION HAVING LIQUID RESIN COMPONENTS EVONIK DEGUSSA GMBH (DE) 2012-10-04 WO claimed
EP-2424916-A1 CATALYSIS OF EPOXY RESIN FORMULATIONS Evonik Degussa GmbH (DE) 2012-03-07 EP claimed
US-20120041101-A1 CATALYSIS OF EPOXY RESIN FORMULATIONS EVONIK DEGUSSA GMBH (DE) 2012-02-16 US claimed
US-20120003890-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2012-01-05 US claimed
JP-2011506714-A 2011-03-03 JP claimed
WO-2010124901-A1 CATALYSIS OF EPOXY RESIN FORMULATIONS EVONIK DEGUSSA GMBH (DE) 2010-11-04 WO claimed
US-20100227942-A1 DUAL-CURE FORMULATIONS WITH COMPONENTS CONTAINING URETDIONE GROUPS EVONIK DEGUSSA GMBH (DE) 2010-09-09 US claimed
EP-2188320-A1 DUAL CURE FORMULATIONS WITH COMPONENTS COMPRISING URETDIONE GROUPS Evonik Degussa GmbH (DE) 2010-05-26 EP claimed
WO-2009077222-A1 DUAL CURE FORMULATIONS WITH COMPONENTS COMPRISING URETDIONE GROUPS EVONIK DEGUSSA GMBH (DE) 2009-06-25 WO claimed