Acetic Acid

Acetic Acid

SCHEMBL11052152

CC(=O)O.P.[NaH]

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 SCHEMBL668127 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL2440620 0.94
Acetic Acid SCHEMBL5757863 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL18813475 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL11049062 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL437033 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL6264986 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL21693850 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL21693846 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL10939710 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-4454312-A CONTAINING ZIRCONIUM TOYO BOSEKI KABUSHIKI KAISHA (JP) 1984-06-12 US disclosed