Acetic Acid

Acetic Acid

SCHEMBL29913812

CC(=O)O.CC=N

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 SCHEMBL3252180 0.82
Acetic Acid SCHEMBL28198119 0.80
Acetic Acid SCHEMBL5245828 0.80 FFAR3 (0.54)
Acetic Acid SCHEMBL29939184 0.80 FFAR3 (0.54)
Acetic Acid SCHEMBL41121 0.80
Acetic Acid SCHEMBL29281427 0.78 FFAR3 (0.64)
Acetic Acid SCHEMBL8927132 0.78 FFAR3 (0.64)
Acetic Acid SCHEMBL22445101 0.78
Acetic Acid SCHEMBL7197355 0.78 FFAR3 (0.64)
Acetic Acid SCHEMBL27573129 0.78

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-115020453-A Display device 三星显示有限公司 2022-09-06 CN disclosed