Acetic Acid

Acetic Acid

SCHEMBL27586830

CC(=O)O.N.O=S=O

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 SCHEMBL2531672 0.95
Acetic Acid SCHEMBL8061222 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL2848522 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL462200 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL11246672 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL20553940 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL21197465 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL20537337 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL21596426 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL2916665 0.85

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-1418077-A Method and apparatus for preventing the transmission of sexually transmitted diseases UNIV TEXAS (US) 2003-05-14 CN disclosed