Acetic Acid

Acetic Acid

SCHEMBL3838799

CC(=O)O.CCCCCCCCc1ccccc1C(N)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.48

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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.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.47
CYSLTR1 Q9Y271 8/20 0.47
BID P55957 3/20 0.46
MCL1 Q07820 3/20 0.46
PPARA Q07869 3/20 0.46
BCL2L1 Q07817 2/20 0.46
BAK1 Q16611 2/20 0.46
KAT8 Q9H7Z6 2/20 0.46
PPARG P37231 2/20 0.46
EP300 Q09472 1/20 0.46
KAT2A Q92830 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT5 Q92993 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
LIPG Q9Y5X9 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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 SCHEMBL28915072 0.92 CYSLTR2 (0.40) CYSLTR2CYSLTR1BIDMCL1PPARA
SCHEMBL2530765 0.91 LIPG (0.49) CYSLTR2CYSLTR1BIDMCL1PPARA
SCHEMBL8592575 0.91 LIPG (0.49) CYSLTR2CYSLTR1BIDMCL1PPARA
SCHEMBL1537240 0.91 LIPG (0.49) CYSLTR2CYSLTR1BIDMCL1PPARA
Hydrochloric Acid SCHEMBL3387556 0.90 LIPG (0.47) CYSLTR2CYSLTR1BIDMCL1PPARA
Bromide SCHEMBL20163268 0.90 LIPG (0.47) CYSLTR2CYSLTR1BIDMCL1PPARA
Hydrochloric Acid SCHEMBL29286909 0.90 LIPG (0.47) CYSLTR2CYSLTR1BIDMCL1PPARA
Hydrochloric Acid SCHEMBL8591558 0.90 LIPG (0.47) CYSLTR2CYSLTR1BIDMCL1PPARA
Hydrochloric Acid SCHEMBL2059992 0.90 LIPG (0.47) CYSLTR2CYSLTR1BIDMCL1PPARA
Hydrochloric Acid SCHEMBL15811749 0.90 LIPG (0.47) CYSLTR2CYSLTR1BIDMCL1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658671-A ARTICLE COATED WITH COMPOSITION COMPRISING FLUOROELASTOMER, QUATERNARY AMMONIUM OR PHOSPHONIUM ACCELERATOR, POLYOL, ACID ACCEPTOR, OIL-SOLUBLE CHELATING AGENT, ORGANIC SOLVENT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-19 US claimed
US-5451625-A FOR USE IN THE PREPARATION OF AUTOMOTIVE GASKETS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-09-19 US claimed
EP-0574319-A1 Fluoroelastomer coating composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-12-15 EP claimed
EP-1682609-B1 METHOD OF MODIFYING A FLUOROPOLYMER AND ARTICLES THEREBY 3M INNOVATIVE PROPERTIES CO (US) 2015-03-11 EP disclosed
EP-2014703-B1 Process of preparing a composite article 3M INNOVATIVE PROPERTIES CO (US) 2009-12-09 EP disclosed
EP-2014703-A1 Method of modifying a fluoropolymer and articles thereby 3M Innovative Properties Company (US) 2009-01-14 EP disclosed
EP-1453896-B1 PROCESS FOR MODIFYING A POLYMERIC SURFACE 3M INNOVATIVE PROPERTIES CO (US) 2008-04-09 EP disclosed
EP-1461376-B1 IMPROVED PROCESS FOR MODIFYING A POLYMERIC SURFACE 3M INNOVATIVE PROPERTIES CO (US) 2006-12-20 EP disclosed
US-7140413-B2 Method of modifying a fluoropolymer and articles thereby 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-28 US disclosed
EP-1682609-A1 METHOD OF MODIFYING A FLUOROPOLYMER AND ARTICLES THEREBY 3M Innovative Properties Company (US) 2006-07-26 EP disclosed
US-20060029812-A1 Method of modifying a fluoropolymer and articles thereby 3M INNOVATIVE PROPERTIES COMPANY 2006-02-09 US disclosed
EP-0921155-B1 FLUORORUBBER COATING COMPOSITION DAIKIN IND LTD (JP) 2003-05-02 EP disclosed
EP-0574319-B1 Fluoroelastomer coating composition DYNEON LLC (US) 1998-01-21 EP disclosed
US-5658671-A ARTICLE COATED WITH COMPOSITION COMPRISING FLUOROELASTOMER, QUATERNARY AMMONIUM OR PHOSPHONIUM ACCELERATOR, POLYOL, ACID ACCEPTOR, OIL-SOLUBLE CHELATING AGENT, ORGANIC SOLVENT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-19 US disclosed
EP-0670868-B1 FLUORORUBBER COATING COMPOSITION MINNESOTA MINING & MFG (US) 1997-01-22 EP disclosed
US-5451625-A FOR USE IN THE PREPARATION OF AUTOMOTIVE GASKETS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-09-19 US disclosed
EP-0670868-A1 FLUORORUBBER COATING COMPOSITION. MINNESOTA MINING & MFG (US) 1995-09-13 EP disclosed
WO-1994012580-A1 FLUORORUBBER COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-06-09 WO disclosed
EP-0574319-A1 Fluoroelastomer coating composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-12-15 EP disclosed
US-4399272-A COPOLYMERIZING FORMALDEHYDE AND AN ALKYLENE OXIDE OR CYCLIC FORMAL USING A LEWIS ACID AND ANIONIC CATALYST ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-08-16 US disclosed