Acetic Acid

Acetic Acid

SCHEMBL9726932

CC.CC(=O)O.[Zr]

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 SCHEMBL194373 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL11435321 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL28832781 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL5081257 0.94
Acetic Acid SCHEMBL27648247 0.94
Acetic Acid SCHEMBL37010 0.94
Acetic Acid SCHEMBL23092255 0.94
Acetic Acid SCHEMBL7080562 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL28374360 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL9577920 0.94 FFAR3 (0.88)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132138-A Impregnation with polysiloxane containing methyl hydrogen silanediol units, curing Trifon, George (US) 1992-07-21 US disclosed