Benzoic Acid

Benzoic Acid

SCHEMBL569454

CC(O)CC(O)C(C)(C)C.O=C(O)c1ccccc1.O=C(O)c1ccccc1

nearest known ligand 0.48

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 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
SRD5A2 P31213 4/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
TRPA1 O75762 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
ADRB2 P07550 1/20 0.38
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38

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 SCHEMBL1786860 0.91 TSHR (0.54) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL27925082 0.88 DAO (0.47) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL28760455 0.87 DAO (0.45) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL1068956 0.85 TSHR (0.61) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL4577010 0.85 TSHR (0.61) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL1073214 0.85 TSHR (0.61) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL560829 0.85 TSHR (0.61) TSHRDAONAPRTSRD5A2CES2
Benzoyl Formic Acid SCHEMBL16045666 0.83 CES2 (0.48) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL1073180 0.83 TSHR (0.45) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL569215 0.82 TSHR (0.52) TSHRDAONAPRTSRD5A2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397658-B1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS BRASKEM AMERICA INC (US) 2022-07-27 EP disclosed
US-11117982-B2 Non-phthalate catalyst system and its use in the polymerization of olefins BRASKEM AMERICA, INC. (US) 2021-09-14 US disclosed
US-11041028-B2 Non-phthalate catalyst system and its use in the polymerization of olefins BRASKEM AMERICA, INC. (US) 2021-06-22 US disclosed
US-20200199262-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS BRASKEM AMERICA, INC. 2020-06-25 US disclosed
US-10633464-B2 Non-phthalate catalyst system and its use in the polymerization of olefins BRASKEM AMERICA, INC. (US) 2020-04-28 US disclosed
US-10633463-B2 Non-phthalate catalyst system and its use in the polymerization of olefins BRASKEM AMERICA, INC. (US) 2020-04-28 US disclosed
US-20190016832-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS BRASKEM AMERICA, INC. (US) 2019-01-17 US disclosed
US-20190010258-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS BRASKEM AMERICA, INC. 2019-01-10 US disclosed
US-20190010264-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS BRASKEM AMERICA, INC. 2019-01-10 US disclosed
EP-3397659-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS Braskem America, Inc. (US) 2018-11-07 EP disclosed
EP-2601223-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2013-06-12 EP disclosed
US-20130131290-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia, s.r.l. (IT) 2013-05-23 US disclosed
US-20130131293-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2013-05-23 US disclosed
CN-103052659-A Catalyst components for the polymerization of olefins BASELL POLIOLEFINE SRL 2013-04-17 CN disclosed
CN-103052658-A Catalyst components for the polymerization of olefins BASELL POLIOLEFINE SRL 2013-04-17 CN disclosed
WO-2012052386-A1 PROCESS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-04-26 WO disclosed
WO-2012052387-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-04-26 WO disclosed
WO-2012052389-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY PROPYLENE POLYMERS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-04-26 WO disclosed
WO-2012017038-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-02-09 WO disclosed
WO-2012017040-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-02-09 WO disclosed