Acetic Acid

Acetic Acid

SCHEMBL3136184

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Li+].[Rh+3]

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.80
CA4 P22748 3/20 0.54
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.42
FFAR3 O14843 2/20 0.42
THPO P40225 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
FAHD1 Q6P587 1/20 0.39
ALDH1A1 P00352 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA2 P00918 1/20 0.33

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 SCHEMBL1331368 0.95
Acetic Acid SCHEMBL29379737 0.95 CA1 (0.89) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL31458320 0.95 CA1 (0.89) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL19714905 0.95 CA1 (0.89) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL40583 0.95
Acetic Acid SCHEMBL28462563 0.95 CA1 (0.89) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL31458334 0.95 CA1 (0.89) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL5487826 0.95 CA1 (0.89) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL36700 0.95 CA1 (0.89) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL28766876 0.91 CA1 (0.67) CA1CA4LMNATSHRFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1942394-B Preparation of syngas for acetic acid synthesis by partial oxidation of methanol feedstock ACETEX CYPRUS LTD 2010-09-29 CN disclosed
US-7732499-B2 Preparation of syngas for acetic acid synthesis by partial oxidation of methanol feedstock ACETEX (CYPRUS) LIMITED (CY) 2010-06-08 US disclosed
EP-2146166-A2 Methanol plant retrofit for manufacture of acetic acid Acetex (Cyprus) Limited (CY) 2010-01-20 EP disclosed
US-20090143492-A1 PREPARATION OF SYNGAS FOR ACETIC ACID SYNTHESIS BY PARTIAL OXIDATION OF METHANOL FEEDSTOCK ACETEX (CYPRUS) LIMITED (US) 2009-06-04 US disclosed
EP-1683780-B1 Manufacture of acetic acid ACETEX CYPRUS LTD (CY) 2009-03-04 EP disclosed
US-7498016-B2 Preparation of syngas for acetic acid synthesis by partial oxidation of methanol feedstock ACETEX (CYPRUS) LIMITED (CY) 2009-03-03 US disclosed
US-7470811-B2 Integrated process for acetic acid and methanol ACETEX (CYPRUS) LIMITED (CY) 2008-12-30 US disclosed
US-20080039652-A1 Integrated Process for Acetic Acid and Methanol ACETEX (CYPRUS) LIMITED (CY) 2008-02-14 US disclosed
US-20070225384-A1 Preparation of Syngas for Acetic Acid Synthesis By Partial Oxidation of Methanol Feedstock ACETEX (CYPRUS) LIMITED (US) 2007-09-27 US disclosed
EP-1776315-A2 PREPARATI0N OF SYNGAS FOR ACETIC ACID SYNTHESIS BY PARTIAL OXIDATION OF METHANOL FEEDSTOCK Acetex (Cyprus) Limited (CY) 2007-04-25 EP disclosed
US-6846951-B1 Integrated process for acetic acid and methanol ACETEX (CYPRUS) LIMITED (CY) 2005-01-25 US disclosed
US-6781014-B1 MAKING SYNTHESIS GAS FROM WHICH STREAMS OF CARBON MONOXIDE AND METHANOL CAN BE OBTAINED FOR THE MANUFACTURE OF ACETIC ACID ACETEX (CYPRUS) LIMITED (CY) 2004-08-24 US disclosed
WO-2003097523-A2 INTEGRATED PROCESS FOR MAKING ACETIC ACID AND METHANOL ACETEX (CYPRUS) LIMITED (CY) 2003-11-27 WO disclosed
US-6531630-B2 Converting of an existing methanol plant to make acetic acid; steam reformer to which a hydrocarbon ,e.g., natural gas, or a lower alkanol, e.g., methanol, and steam are fed. Syngas is formed in the reformer VIDALIN KENNETH EBENES (CA) 2003-03-11 US disclosed
EP-1226103-A1 METHANOL PLANT RETROFIT FOR MANUFACTURE OF ACETIC ACID Acetex (Cyprus) Limited (CY) 2002-07-31 EP disclosed
US-20020085963-A1 Bimodal acetic acid manufacture VIDALIN KENNETH EBENES (US) 2002-07-04 US disclosed
US-6353133-B1 TO MAKE ACETIC ACID ACETEX (CYPRUS) LIMITED (CY) 2002-03-05 US disclosed
US-6274096-B1 DIVERTING A PORTION OF SYNGAS FROM THE METHANOL SYNTHESIS LOOP TO A CARBON MONOXIDE SEPARATOR AND REACTING THE METHANOL PRODUCT WITH CARBON MONOXIDE FROM THE SEPARATOR TO FORM FINAL PRODUCT, I.E., ACETIC ACID ACETEX (CYPRUS) LIMITED (CY) 2001-08-14 US disclosed
US-6232352-B1 DIVERTING SYNTHESIS GAS (HYDROGEN, CARBON MONOXIDE, AND CARBON DIOXIDE) FROM METHANOL SYNTHESIS LOOP TO A CARBON MONOXIDE SEPARATOR AND REACTING METHANOL WITH THE CARBON MONOXIDE TO MAKE ACETIC ACID ACETEX LIMITED (CY) 2001-05-15 US disclosed
WO-2001032594-A1 METHANOL PLANT RETROFIT FOR MANUFACTURE OF ACETIC ACID ACETEX (CYPRUS) LIMITED (CY) 2001-05-10 WO disclosed