Benzoic Acid

Benzoic Acid

SCHEMBL653417

CC1=C(C)C(C)(C)C([Zr+3])=C1C.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1

nearest known ligand 0.50

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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 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.50
CA4 P22748 1/20 0.50
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES2 O00748 4/20 0.34
CES1 P23141 4/20 0.34
USP2 O75604 1/20 0.34
CA1 P00915 8/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DAO P14920 1/20 0.32
TSHR P16473 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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 SCHEMBL7764204 0.81 CA2 (0.50) CA2CA4NPC1TP53GAA
Benzoic Acid SCHEMBL25441 0.74 CA2 (0.89) CA2CA4HPGDSMN1; SMN2CES2
Benzoic Acid SCHEMBL11789341 0.72 CA2 (0.94) CA2CA4HPGDSMN1; SMN2CES2
Benzoic Acid SCHEMBL28337190 0.70 CA2 (0.80) CA2CA4CES2CES1USP2
Benzoic Acid SCHEMBL27345977 0.70 CA2 (0.90) CA2CA4CES2CES1USP2
Benzoic Acid SCHEMBL11740323 0.70 CA2 (0.80) CA2CA4CES2CES1USP2
Benzoic Acid SCHEMBL158696 0.70 CA2 (0.80) CA2CA4CES2CES1USP2
Benzoic Acid SCHEMBL1445056 0.70 CA2 (0.89) CA2CA4HPGDSMN1; SMN2CES2
Benzoic Acid SCHEMBL4525348 0.70 CA2 (0.89) CA2CA4HPGDSMN1; SMN2CES2
Benzoic Acid SCHEMBL457494 0.70 CA2 (0.89) CA2CA4HPGDSMN1; SMN2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982236-B2 Process to polymerize olefins UNIVATION TECHNOLOGIES, LLC (US) 2006-01-03 US claimed
US-20040039138-A1 Catalyst preparation method WENZEL TIMOTHY T (US) 2004-02-26 US claimed
US-6656866-B2 Metallocene and non-metallocene, homogeneous catalysts, particularly for use in the economical gas and slurry phase processes; spray dried olefin polymerization catalysts UNIVATION TECHNOLOGIES, LLC 2003-12-02 US claimed
US-20030207762-A9 CATALYST PREPARATION METHOD UNIVATION TECHNOLOGIES, LLC 2003-11-06 US claimed
EP-1358216-A2 START-UP PROCEDURE FOR MULTIPLE CATALYST POLYMERIZATION SYSTEMS Univation Technologies LLC (US) 2003-11-05 EP claimed
US-6620894-B2 Calibration; using coordination catalyst UNIVATION TECHNOLOGIES, LLC 2003-09-16 US claimed
EP-0961784-B1 IMPROVED CONTROL OF SOLUTION CATALYST DROPLET SIZE WITH AN EFFERVESCENT SPRAY NOZZLE UNION CARBIDE CHEM PLASTIC (US) 2002-10-23 EP claimed
US-20020132937-A1 Start-up procedure for multiple catalyst polymerization systems UNIVATION TECHNOLOGIES, LLC 2002-09-19 US claimed
US-20020119890-A1 Catalyst preparation method WENZEL TIMOTHY T (US) 2002-08-29 US claimed
WO-2002050127-A2 START-UP PROCEDURE FOR MULTIPLE CATALYST POLYMERIZATION SYSTEMS UNIVATION TECHNOLOGIES, LLC (US) 2002-06-27 WO claimed
US-5962606-A VAPOR PHASE POLYMERIZING OF AN ALPHA-OLEFIN USING LIQUID CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-10-05 US claimed
EP-3105261-B9 PRODUCING POLYETHYLENE PRODUCTS WITH IMPROVED STIFFNESS, TOUGHNESS, AND PROCESSABILITY UNIVATION TECH LLC (US) 2024-10-30 EP disclosed
EP-4223802-A2 POLYMERIZATION CATALYST Univation Technologies, LLC (US) 2023-08-09 EP disclosed
EP-2953985-B1 PREPARATION OF POLYOLEFIN UNIVATION TECH LLC (US) 2023-06-07 EP disclosed
EP-3105261-B1 PRODUCING POLYETHYLENE PRODUCTS WITH IMPROVED STIFFNESS, TOUGHNESS, AND PROCESSABILITY UNIVATION TECH LLC (US) 2022-10-12 EP disclosed
US-5693727-A INTRODUCING MONOMERS INTO POLYMERIZATION ZONE CONTAINING BED OF GROWING POLYMER PARTICLES, INTRODUCING UNSUPPORTED POLYMERIZATION CATALYST IN LIQUID FORM INTO VESSEL, WITHDRAWING POLYMERIC PRODUCT, UNREACTED MONOMERS, GASES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-12-02 US disclosed
EP-0784062-A2 Process for production of long-chain branched polyolefins UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-07-16 EP disclosed
EP-0770629-A2 A process for preparing an in situ polyethylene blend UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-02 EP disclosed
EP-0735057-A1 Catalysts for the production of polyolefins UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-10-02 EP disclosed
US-5527752-A ZIRCONIUM OR HAFNIUM COMPLEXES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-06-18 US disclosed