Acetic Acid

Acetic Acid

SCHEMBL7790126

C=C(C)O.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
Acetic Acid SCHEMBL535195 0.90
Bicarbonate SCHEMBL28891465 0.90
Bicarbonate SCHEMBL28901806 0.90 FFAR3 (0.55)
Acetic Acid SCHEMBL11879749 0.90 FFAR3 (0.70)
Acetic Acid SCHEMBL21175529 0.90
Acetic Acid SCHEMBL10394213 0.90 FFAR3 (0.70)
Acetic Acid SCHEMBL10726949 0.86 FFAR3 (0.64)
Acetic Acid SCHEMBL11186790 0.84 FFAR3 (0.78)
Acetic Acid SCHEMBL2451995 0.84 FFAR3 (0.78)
Acetic Acid SCHEMBL9523969 0.84 FFAR3 (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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999514-B Polyurethane composition with controllable disperse phase morphology and preparation method and application thereof 万华化学集团股份有限公司 2023-04-28 CN claimed
CN-113999514-A Polyurethane composition with controllable dispersed phase form and preparation method and application thereof 万华化学集团股份有限公司 2022-02-01 CN claimed
US-20260132109-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2026-05-14 US disclosed
US-12503436-B2 Compounds and compositions for treating conditions associated with STING activity NOVARTIS PHARMA AG (CH) 2025-12-23 US disclosed
EP-4384503-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2024-06-19 EP disclosed
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 US disclosed
WO-2023018781-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-02-16 WO disclosed
CN-113999514-A Polyurethane composition with controllable dispersed phase form and preparation method and application thereof 万华化学集团股份有限公司 2022-02-01 CN disclosed
CN-107789376-B Two-phase deep eutectic solvent for extracting active ingredients of ginkgo leaves and preparation method and extraction method thereof 南京林业大学 2021-05-18 CN disclosed
EP-1083162-B1 Process for the preparation of 1,3-diketones WACKER CHEMIE GMBH (DE) 2001-12-19 EP disclosed
US-6310258-B1 HEATING ISOMERIC ENOL ESTER IN A TUBE REACTOR, COOLING BY DISTILLATION TO FORM 1,3-DIKETONE BY THERMAL REARRANGEMENT WACKER CHEMIE GMBH (DE) 2001-10-30 US disclosed
EP-1083162-A1 Process for the preparation of 1,3-diketones Wacker-Chemie GmbH (DE) 2001-03-14 EP disclosed