Acetic Acid

Acetic Acid

SCHEMBL28211308

CC(=O)O.[CaH2].[CaH2].[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 SCHEMBL3630519 1.00
Acetic Acid SCHEMBL28364497 1.00 FFAR3 (0.78)
Acetic Acid SCHEMBL27879756 1.00 FFAR3 (0.78)
Acetic Acid SCHEMBL28942881 1.00 FFAR3 (0.78)
Acetic Acid SCHEMBL5420334 1.00
Acetic Acid SCHEMBL19285650 1.00 FFAR3 (0.78)
Acetic Acid SCHEMBL7592578 0.95 FFAR3 (0.70)
Acetic Acid SCHEMBL20137312 0.95 FFAR3 (0.70)
Acetic Acid SCHEMBL449429 0.95
Acetic Acid SCHEMBL28229072 0.95

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
CN-104293443-B Process of Emulsifying Oil For Rolling composition and application thereof 中国石油化工股份有限公司 2018-04-13 CN disclosed