Acetic Acid

Acetic Acid

SCHEMBL7517423

CC(=O)O.O=[N+]([O-])[O-].[Y]

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 SCHEMBL6841023 1.00 FFAR3 (0.54)
Acetic Acid SCHEMBL27672369 0.92 FFAR3 (0.54)
Acetic Acid SCHEMBL6855692 0.92
Acetic Acid SCHEMBL27506078 0.92 FFAR3 (0.54)
Acetic Acid SCHEMBL28795718 0.92 FFAR3 (0.54)
Acetic Acid SCHEMBL10595188 0.92 FFAR3 (0.54)
Acetic Acid SCHEMBL28032779 0.92 FFAR3 (0.54)
Acetic Acid SCHEMBL12544195 0.92 FFAR3 (0.54)
Acetic Acid SCHEMBL28610104 0.92
Acetic Acid SCHEMBL28148899 0.92 FFAR3 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177263-A1 ELECTRODEPOSITION BATHS CONTAINING YTTRIUM PPG Industries Ohio, Inc. (US) 2002-02-06 EP claimed
WO-2000064991-A1 ELECTRODEPOSITION BATHS CONTAINING YTTRIUM PPG INDUSTRIES OHIO, INC. (US) 2000-11-02 WO claimed