Acetic Acid

Acetic Acid

SCHEMBL725627

CC(=O)O.[CH2]CCC

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
Acrylic Acid SCHEMBL10616411 0.86 LMNA (0.53)
Acetic Acid SCHEMBL23581673 0.85 FFAR3 (0.58)
Acetic Acid SCHEMBL28177216 0.85
SCHEMBL28221380 0.83
Acetone SCHEMBL20239121 0.83 ALDH1A1 (0.40)
Acetic Acid SCHEMBL6517807 0.81 FFAR3 (0.64)
Acetic Acid SCHEMBL6290880 0.81 FFAR3 (0.64)
Acetic Acid SCHEMBL10590923 0.81 FFAR3 (0.64)
Acetic Acid SCHEMBL6113 0.81
Acetic Acid SCHEMBL27432872 0.81 FFAR3 (0.64)

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
WO-2020189333-A1 COATING COMPOSITION AND COATING FILM FORMATION METHOD 関西ペイント株式会社 2020-09-24 WO disclosed
US-8492459-B2 Ink composition and method of forming a pattern using the same LG DISPLAY CO., LTD. (KR) 2013-07-23 US disclosed
EP-1674547-B1 Glue for cold glueing of construction materials MUYLLE FACON N V (BE) 2012-02-29 EP disclosed
US-20090176936-A1 Ink composition and method of forming a pattern using the same LG DISPLAY CO., LTD. (KR) 2009-07-09 US disclosed
US-4183837-A Liquid coating composition containing vinyl fluoride-hexafluoropropylene resin TEIJIN LIMITED (JP) 1980-01-15 US disclosed
US-4158726-A HIGH MOLECULAR WEIGHT, WATER-SOLUBLE CATIONIC ACRYLIC OR METHACRYLIC ESTER POLYMERS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1979-06-19 US disclosed