Benzoic Acid

Benzoic Acid

SCHEMBL223239

O=C(O)c1ccccc1.O=C(O)c1ccccc1.OCCCCCCCCO

nearest known ligand 0.67

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
TSHR P16473 2/20 0.67
DAO P14920 1/20 0.67
NAPRT Q6XQN6 1/20 0.67
CES1 P23141 4/20 0.56
CES2 O00748 3/20 0.56
SRD5A2 P31213 2/20 0.56
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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 SCHEMBL225816 1.00 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL9626116 1.00 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL11896607 1.00 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL11896279 1.00 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL11896597 1.00 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL2069113 1.00 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL11896261 1.00 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL9315243 1.00 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL11896236 1.00 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28021770 1.00 TSHR (0.67) TSHRDAONAPRTCES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009503-A1 TETRACHLOROISOPHTHALONITRILE DISPERSION DIAMOND SHAMROCK CORPORATION (US) 1980-04-16 EP claimed
WO-1979000654-A1 TETRACHLOROISOPHTHALONITRILE DISPERSION DIAMOND SHAMROCK CORP (US) 1979-09-06 WO claimed
EP-2647668-B1 POLYESTER RESIN COMPOSITION AND MOLDED BODY OF SAME ADEKA CORP (JP) 2019-08-14 EP disclosed
EP-3075784-B1 PROCESS FOR PRODUCING MASTERBATCH ADEKA CORP (JP) 2018-10-03 EP disclosed
US-9890256-B2 Process for producing masterbatch ADEKA CORPORATION (JP) 2018-02-13 US disclosed
EP-2796487-B1 METHOD FOR PRODUCING MASTERBATCHES ADEKA CORP (JP) 2017-08-02 EP disclosed
EP-2407514-B1 REINFORCED POLYESTER RESIN COMPOSITION ADEKA CORP (JP) 2017-03-01 EP disclosed
US-9527966-B2 Method for producing masterbatches ADEKA CORPORATION (JP) 2016-12-27 US disclosed
US-20160347917-A1 PROCESS FOR PRODUCING MASTERBATCH ADEKA CORPORATION (JP) 2016-12-01 US disclosed
EP-3075784-A1 PROCESS FOR PRODUCING MASTERBATCH Adeka Corporation (JP) 2016-10-05 EP disclosed
US-20140350139-A1 METHOD FOR PRODUCING MASTERBATCHES ADEKA CORPORATION (JP) 2014-11-27 US disclosed
US-8715896-B2 Polyalkylene glycol benzoate containing photoconductors XEROX CORPORATION (US) 2014-05-06 US disclosed
EP-2647668-A1 POLYESTER RESIN COMPOSITION AND MOLDED BODY OF SAME Adeka Corporation (JP) 2013-10-09 EP disclosed
US-20130253145-A1 POLYESTER RESIN COMPOSITION AND MOLDED BODY OF SAME ADEKA CORPORATION (JP) 2013-09-26 US disclosed
US-20120196217-A1 POLYALKYLENE GLYCOL BENZOATE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2012-08-02 US disclosed
EP-2407514-A1 REINFORCED POLYESTER RESIN COMPOSITION Adeka Corporation (JP) 2012-01-18 EP disclosed
US-20120004363-A1 REINFORCED POLYESTER RESIN COMPOSITION ADEKA CORPORATION (JP) 2012-01-05 US disclosed
US-4605465-A SKIN-FORMING; NONSAGGING; COATINGS, PHOTORESISTS; GASKETS; SEALS; ADHESIVES W. R. GRACE & CO. (US) 1986-08-12 US disclosed
EP-0009503-A1 TETRACHLOROISOPHTHALONITRILE DISPERSION DIAMOND SHAMROCK CORPORATION (US) 1980-04-16 EP disclosed
WO-1979000654-A1 TETRACHLOROISOPHTHALONITRILE DISPERSION DIAMOND SHAMROCK CORP (US) 1979-09-06 WO disclosed