Acetic Acid

Acetic Acid

SCHEMBL4273550

CC(=O)O.CC(C)=O.[GaH3]

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 SCHEMBL28327729 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL10641112 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL6652773 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL36402 0.94
Acetic Acid SCHEMBL21647264 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL11372553 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL11258467 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL19963 0.94
Acetic Acid SCHEMBL9841862 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL27534860 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-20090260670-A1 Precursor ink for producing IB-IIIA-VIA semiconductors LI XIAO-CHANG CHARLES 2009-10-22 US disclosed