Acetic Acid

Acetic Acid

SCHEMBL9302852

CC(=O)O.O=C(O)O.[MgH2]

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 SCHEMBL40308 1.00 FFAR3 (0.78)
Acetic Acid SCHEMBL28341631 0.95 FFAR3 (0.70)
Acetic Acid SCHEMBL2221524 0.95 FFAR3 (0.70)
Acetic Acid SCHEMBL4909088 0.95 FFAR3 (0.70)
Acetic Acid SCHEMBL9812633 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL9340210 0.94
Acetic Acid SCHEMBL19920 0.94
Acetic Acid SCHEMBL8107424 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL11439971 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL28643469 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5275943-A Timed-release tablets for biological degradation of organic matter CELLINITE TECHNOLOGIES, INC. 1994-01-04 US claimed
CN-109906221-A N- alkyl sulphonyl sulfonylindoline compounds and salt, garderning pesticide and its application method containing the compound 日本农药株式会社 2019-06-18 CN disclosed