Acetic Acid

Acetic Acid

SCHEMBL9798744

CC(=O)O.OB(O)F.[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 SCHEMBL16563439 0.92 FFAR3 (0.54)
Acetic Acid SCHEMBL64808 0.84
Acetic Acid SCHEMBL734341 0.84 FFAR3 (0.64)
Acetic Acid SCHEMBL16039739 0.84
Acetic Acid SCHEMBL11187676 0.83 FFAR3 (0.78)
Acetic Acid SCHEMBL10996839 0.83
Acetic Acid SCHEMBL197557 0.83
Acetic Acid SCHEMBL10577520 0.80 FFAR3 (0.58)
Acetic Acid SCHEMBL14691460 0.79
Acetic Acid SCHEMBL2259463 0.79

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-5021264-A Whole or partial etherified 1,3-dialkyl-4,5-dihydroxy-imidazolidinone; shrink resistace CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed