Acetic Acid

Acetic Acid

SCHEMBL592986

C=C(C)C1CC(CO)C1(C)C.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 SCHEMBL22607985 1.00
SCHEMBL22897356 0.92
SCHEMBL592985 0.75 ALDH1A1 (0.32)
SCHEMBL1301519 0.75 ALDH1A1 (0.32)
SCHEMBL22897361 0.75
SCHEMBL22607997 0.70
SCHEMBL31474374 0.69 ALDH1A1 (0.37)
SCHEMBL31508903 0.68
SCHEMBL22906487 0.68
SCHEMBL22608021 0.68 PTPN1 (0.36)

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750129-A SOLID RESERVOIRS ENCAPSULATED WITH POROUS MEMBRANE PHERO TECH INC. (CA) 1998-05-12 US claimed
EP-1606334-B1 POLYAMIDE-POLYETHER BLOCK COPOLYMER CRODA INT PLC (GB) 2019-04-03 EP disclosed
EP-2099605-B1 COMPOSITION AND ARTICLES CONTAINING CROSS-LIINKED POLYMER MATRIX AND IMMOBILIZED ACTIVE LIQUID, AND METHODS OF MAKING SAME CRODA INT PLC (GB) 2018-04-18 EP disclosed
US-8664292-B2 Compositions and articles containing a cross-linked polymer matrix and an immobilized active liquid, as well as methods of making and using the same CRODA INTERNATIONAL PLC (GB) 2014-03-04 US disclosed
US-8119149-B2 Polyamide-polyether block copolymer ARIZONA CHEMICAL COMPANY, LLC (US) 2012-02-21 US disclosed
US-8119741-B2 Polyamide-polyether block copolymer ARIZONA CHEMICAL COMPANY, LLC (US) 2012-02-21 US disclosed
US-8114387-B2 Polyamide-polyether block copolymer ARIZONA CHEMICAL COMPANY, LLC (US) 2012-02-14 US disclosed
US-8114424-B2 Polyamide-polyether block copolymer ARIZONA CHEMICAL COMPANY, LLC (US) 2012-02-14 US disclosed
US-8058386-B2 Polyalkylene glycol-based poly(ester-amide) polymers, methods of making and methods of using same, compositions and products comprising same ARIZONA CHEMICAL COMPANY, LLC (US) 2011-11-15 US disclosed
EP-2326682-A1 POLYALKYLENE GLYCOL-BASED POLY(ESTER-AMIDE) POLYMERS, METHODS OF MAKING AND METHODS OF USING SAME, COMPOSITIONS AND PRODUCTS COMPRISING SAME Arizona Chemical Company (US) 2011-06-01 EP disclosed
US-20090082460-A1 Polyamide-Polyether Block Copolymer ARIZONA CHEMICAL COMPANY LLC 2009-03-26 US disclosed
US-20090076175-A1 Polyamide-Polyether Block Copolymer ARIZONA CHEMICAL COMPANY LLC 2009-03-19 US disclosed
US-20080070025-A1 COMPOSITIONS AND ARTICLES CONTAINING A CROSS-LINKED POLYMER MATRIX AND AN IMMOBILIZED ACTIVE LIQUID, AS WELL AS METHODS OF MAKING AND USING THE SAME ARIZONA CHEMICAL COMPANY LLC 2008-03-20 US disclosed
US-20070244294-A1 POLYAMIDE-POLYETHER BLOCK COPOLYMER ARIZONA CHEMICAL COMPANY LLC 2007-10-18 US disclosed
US-20060052576-A1 Polyamide-polyether block copolymer ARIZONA CHEMICAL COMPANY (US) 2006-03-09 US disclosed
EP-1606334-A1 POLYAMIDE-POLYETHER BLOCK COPOLYMER Arizona Chemical Company (US) 2005-12-21 EP disclosed
US-6956099-B2 Polyamide-polyether block copolymer ARIZONA CHEMICAL COMPANY (US) 2005-10-18 US disclosed
WO-2004083280-A1 POLYAMIDE-POLYETHER BLOCK COPOLYMER ARIZONA CHEMICAL COMPANY (US) 2004-09-30 WO disclosed
US-20040186263-A1 having softening point of 60-180 degrees C, formed from reaction mixture comprising 1,4-cyclohexanedicarboxylic acid and compounds comprising polyalkyleneoxydiamine, reaction mixture containing no monofunctional compound reactive with amine or acid ARIZONA CHEMICAL COMPANY 2004-09-23 US disclosed
US-5750129-A SOLID RESERVOIRS ENCAPSULATED WITH POROUS MEMBRANE PHERO TECH INC. (CA) 1998-05-12 US disclosed