Acetic Acid

Acetic Acid

SCHEMBL3873115

B.CC(=O)O.F

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Acetic Acid SCHEMBL6048835 1.00
Acetic Acid SCHEMBL28736229 0.95
Acetic Acid SCHEMBL4507887 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL5035017 0.94
Acetic Acid SCHEMBL3012541 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL4823161 0.94
Acetic Acid SCHEMBL3012542 0.94
Acetic Acid SCHEMBL27145924 0.94
Acetic Acid SCHEMBL2224826 0.94
Acetic Acid SCHEMBL28097741 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114958134-A Water-based epoxy moisture-curing acid-and-alkali-resistant coating and preparation method thereof 石家庄市鱼莎电力物资工程有限公司 2022-08-30 CN disclosed
WO-2019181081-A1 BLEEDING INHIBITOR 竹本油脂株式会社 2019-09-26 WO disclosed
WO-2019181080-A1 SHRINKAGE REDUCING AGENT AND HYDRAULIC COMPOSITION 竹本油脂株式会社 2019-09-26 WO disclosed
US-7566361-B2 Colouring preparations BASF AKTIENGESELLSCHAFT (DE) 2009-07-28 US disclosed
US-20040168609-A1 Colouring preparations BASF AKTIENGESELLSCHAFT (DE) 2004-09-02 US disclosed
US-4173580-A Production of β-haloalkylaminosulfonyl halides BASF AKTIENGESELLSCHAFT (DE) 1979-11-06 US disclosed
US-4014931-A FROM AZIRIDINE AND SULFURYL HALIDE BASF AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed
US-3983171-A Anionic surface active compositions L'OREAL (FR) 1976-09-28 US disclosed
US-3974224-A HYDROGEN PEROXIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3959460-A Cosmetic compositions containing anionic surface active agent containing mono- or polyhydroxylated mono- or poly ether chains and a terminal acid group L'OREAL (FR) 1976-05-25 US disclosed