Acetic Acid

Acetic Acid

SCHEMBL2463875

CC(=O)[O-].CC(=O)[O-].OCCCCCP(CCCCCO)CCCP(CCCCCO)CCCCCO.[Pd+2]

nearest known ligand 0.35

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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 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
GPR84 Q9NQS5 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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 SCHEMBL2462585 1.00 CA1 (0.35) CA1GPR84FFAR1FFAR4LMNA
Acetic Acid SCHEMBL2465474 1.00 CA1 (0.35) CA1GPR84FFAR1FFAR4LMNA
Acetic Acid SCHEMBL2466675 0.98 CA1 (0.36) CA1GPR84FFAR1FFAR4KDM4E
Acetic Acid SCHEMBL2466591 0.83 CES2 (0.44) CA1GPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL2466806 0.83 CES2 (0.44) CA1GPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL2465384 0.83 CES2 (0.44) CA1GPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL2469511 0.83 CES2 (0.44) CA1GPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL2465729 0.83 CES2 (0.44) CA1GPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL2466008 0.83 CES2 (0.44) CA1GPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL2465467 0.83 CES2 (0.44) CA1GPR84FFAR1FFAR4ALDH1A1

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
US-8013085-B2 addition polymerization of ethylenically unsaturated monomers in an aqueous medium in the presence of polymer particles and at least one dispersant; polymer powders used as additives in adhesives, seals, plasters, renderings, paper coatings or paints BASF AKTIENGESELLSCHAFT (DE) 2011-09-06 US disclosed
US-20060264558-A1 Method for the production of an aqueous polymer dispersion BASF AKTIENGESELLSCHAFT (DE) 2006-11-23 US disclosed
US-6852662-B2 Catalyst systems based on transition metal complexes for carbon monoxide copolymerization in an aqueous medium BASF AKTIENGESELLSCHAFT (DE) 2005-02-08 US disclosed
EP-1345983-B1 METHOD OF PRODUCING AQUEOUS COPOLYMER DISPERSIONS FROM COPOLYMERS THAT COMPRISE CARBON MONOXIDE AND AT LEAST ONE OLEFINICALLY UNSATURATED COMPOUND BASF AG (DE) 2005-01-12 EP disclosed
US-20040092682-A1 Catalyst systems based on transition metal complexes for carbon monoxide copolymerization in an aqueous medium QUEISSER JOACHIM (DE) 2004-05-13 US disclosed
US-20040030040-A1 Method of producing aqueous copolymer dispersions from copolymers that comprise carbon monoxide and at least one olefinically unsaturated compound BASF AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-6667386-B1 Linear, alternating copolymerization of carbon monoxide and alpha-olefins in aqueous media; constantly high average catalyst activity BASF AKTIENGESELLSCHAFT (DE) 2003-12-23 US disclosed
EP-1345983-A1 METHOD OF PRODUCING AQUEOUS COPOLYMER DISPERSIONS FROM COPOLYMERS THAT COMPRISE CARBON MONOXIDE AND AT LEAST ONE OLEFINICALLY UNSATURATED COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2003-09-24 EP disclosed
US-6541564-B2 Copolymerization of carbon monoxide and the olefinically unsaturated carried out in an aqueous medium in the presence of metal complexes, dispersant, organic hydroxy compound, wherein the soluble macromolecular host compound BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-20020198359-A1 Priparation of copolymers of carbon monoxide and an olefinically unsaturated compound in an aqueous medium BASF AKIENGESELLSCHAFT (DE) 2002-12-26 US disclosed
EP-1260537-A1 Process for the preparation of carbon monoxide- olefin copolymers in aqueous media BASF AKTIENGESELLSCHAFT (DE) 2002-11-27 EP disclosed
WO-2002048238-A1 METHOD OF PRODUCING AQUEOUS COPOLYMER DISPERSIONS FROM COPOLYMERS THAT COMPRISE CARBON MONOXIDE AND AT LEAST ONE OLEFINICALLY UNSATURATED COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2002-06-20 WO disclosed