Benzoic Acid

Benzoic Acid

SCHEMBL27419110

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

nearest known ligand 0.90

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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 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 15/20 0.90
▸ CA4 P22748 1/20 0.90
▸ CA1 P00915 14/20 0.54
▸ CES2 O00748 2/20 0.50
▸ CES1 P23141 2/20 0.50
▸ DAO P14920 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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 SCHEMBL11057024 0.97 CA2 (0.94) CA2CA4CA1CES2CES1
Benzoic Acid SCHEMBL30449819 0.97 CA2 (0.94) CA2CA4CA1CES2CES1
Benzoic Acid SCHEMBL5865919 0.97 CA2 (0.94) CA2CA4CA1CES2CES1
Benzoic Acid SCHEMBL2772100 0.97 CA2 (0.94) CA2CA4CA1CES2CES1
Benzoic Acid SCHEMBL28886320 0.95 CA2 (0.80) CA2CA4CA1CES2CES1
Benzoic Acid SCHEMBL29053363 0.95 CA2 (1.00) CA2CA4CA1CES2CES1
Benzoic Acid SCHEMBL16115635 0.95 CA2 (1.00) CA2CA4CA1CES2CES1
Benzoic Acid SCHEMBL28946409 0.95 CA2 (1.00) CA2CA4CA1CES2CES1
Benzoic Acid SCHEMBL431405 0.95 CA2 (1.00) CA2CA4CA1CES2CES1
Benzoic Acid SCHEMBL6123440 0.95 CA2 (1.00) CA2CA4CA1CES2CES1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353928-A Regenerated lubricating oil based on chemical method treatment 唐亮 2022-11-18 — — CN claimed
CN-115353928-A Regenerated lubricating oil based on chemical method treatment 唐亮 2022-11-18 — — CN disclosed
CN-1115956-C Aerosol jetting device EARTH CHEMICAL CO (JP) 2003-07-30 — — CN disclosed
CN-1195266-A Aerosol spraying device EARTH CHEMICAL CO (JP) 1998-10-07 — — CN disclosed
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