Acetic Acid

Acetic Acid

SCHEMBL29035922

CC(=O)[O-].CC(=O)[O-].[La+2]

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 SCHEMBL11408896 0.95
Acetic Acid SCHEMBL135062 0.89 CA1 (0.89)
Acetic Acid SCHEMBL1080 0.89
Acetic Acid SCHEMBL150345 0.89 CA1 (0.89)
Acetic Acid SCHEMBL4956450 0.89
Acetic Acid SCHEMBL153505 0.89 CA1 (1.00)
Acetic Acid SCHEMBL585421 0.89 CA1 (0.89)
Acetic Acid SCHEMBL1023400 0.89 CA1 (0.89)
Acetic Acid SCHEMBL64389 0.89
Acetic Acid SCHEMBL20830 0.89

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-116443932-A Preparation method of rare earth molybdate 武汉姜一三新材料科技有限公司 2023-07-18 CN disclosed