Acetic Acid

Acetic Acid

SCHEMBL4254871

CC(=O)O.F[B-](F)(F)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 SCHEMBL17709206 0.96 FFAR3 (0.58)
Acetic Acid SCHEMBL16563440 0.96 FFAR3 (0.58)
Acetic Acid SCHEMBL17709208 0.92 FFAR3 (0.54)
Benzene SCHEMBL27734290 0.86 FFAR3 (0.47)
Acetic Acid SCHEMBL28221982 0.80
Acetic Acid SCHEMBL31214327 0.80
Bicarbonate SCHEMBL2700650 0.80
Acetic Acid SCHEMBL1331719 0.80
Acetic Acid SCHEMBL1674512 0.80 FFAR3 (1.00)
Acetic Acid SCHEMBL8742314 0.80 FFAR3 (1.00)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240117141-A1 PROCESS FOR HYDRODEPOLYMERIZATION OF POLYMERIC WASTE MATERIAL BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2024-04-11 US disclosed
EP-4281516-A1 PROCESS FOR HYDRODEPOLYMERIZATION OF POLYMERIC WASTE MATERIAL Basell Poliolefine Italia S.r.l. (IT) 2023-11-29 EP disclosed
US-20090163719-A1 CATALYST COMPOSITIONS AND THEIR USE IN THE DE-ENRICHMENT OF ENANTIOMERICALLY ENRICHED SUBSTRATES NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2009-06-25 US disclosed