Acetic Acid

Acetic Acid

SCHEMBL9511037

C=COC.CC(=O)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
Acetone SCHEMBL11650302 0.90
Hydrogen Peroxide SCHEMBL4369407 0.86
Hydrogen Peroxide SCHEMBL4365564 0.86 ALDH1A1 (0.31)
Methacrylic Acid SCHEMBL8005854 0.85 ALDH1A1 (0.43)
Carbamic Acid SCHEMBL11772614 0.84
Acrylic Acid SCHEMBL6856274 0.84
Fumaric Acid SCHEMBL460392 0.81 HCAR2 (0.55)
Fumaric Acid SCHEMBL8927919 0.81 HCAR2 (0.55)
Maleic Acid SCHEMBL8927918 0.81 HCAR2 (0.55)
Maleic Acid SCHEMBL128033 0.81 HCAR2 (0.55)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108472258-B Formulations/compositions comprising BTK inhibitors 詹森药业有限公司 2024-05-24 CN disclosed
CN-1216749-C Supporting body for lithographic plate and lithographic original plate FUJI PHOTO FILM CO LTD (JP) 2005-08-31 CN disclosed
CN-1378918-A Supporting body for lithographic plate and lithographic original plate FUJI PHOTO FILM CO LTD (JP) 2002-11-13 CN disclosed
EP-0279630-B1 DEVELOPER FOR LIGHT-SENSITIVE LITHOGRAPHIC PRINTING PLATE CAPABLE OF PROCESSING COMMONLY THE NEGATIVE-TYPE AND THE POSITIVE TYPE AND DEVELOPER COMPOSITION FOR LIGHT-SENSITIVE MATERIAL KONICA CORPORATION (JP) 1993-10-13 EP disclosed
US-5106724-A High speed, odorless KONICA CORPORATION (JP) 1992-04-21 US disclosed
EP-0279630-A1 Developer for light-sensitive lithographic printing plate capable of processing commonly the negative-type and the positive type and developer composition for light-sensitive material KONICA CORPORATION (JP) 1988-08-24 EP disclosed