Acetic Acid

Acetic Acid

SCHEMBL557337

CC(=O)[O-].CC[N+](C)(CC)CC

nearest known ligand 0.52

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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 17)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 5/20 0.52
CA1 P00915 2/20 0.50
CA4 P22748 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SLC22A16 Q86VW1 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
Bicarbonate SCHEMBL557717 0.90 BBOX1 (0.54) BBOX1CA1FFAR3HDAC3HDAC1
Bicarbonate SCHEMBL27610752 0.88 BBOX1 (0.52) BBOX1CA1FFAR3HDAC3HDAC1
Bicarbonate SCHEMBL8995782 0.88 BBOX1 (0.52) BBOX1CA1FFAR3HDAC3HDAC1
Bicarbonate SCHEMBL557719 0.88 BBOX1 (0.52) BBOX1CA1ALDH1A1FFAR3HDAC3
Oxalic Acid SCHEMBL1052162 0.88 BBOX1 (0.52) BBOX1CA1CA4FFAR3HDAC3
SCHEMBL28618191 0.85 BBOX1 (0.50) BBOX1CA1FFAR3HDAC3HDAC1
Oxalic Acid SCHEMBL27941269 0.85 BBOX1 (0.50) BBOX1CA4FFAR3HDAC3HDAC1
Oxalic Acid SCHEMBL6848374 0.85 BBOX1 (0.50) BBOX1CA4FFAR3HDAC3HDAC1
Propionic Acid SCHEMBL5571765 0.85 BBOX1 (0.56) BBOX1CA1ALDH1A1TDP1FFAR3
Acetic Acid SCHEMBL2531739 0.84 CA1 (0.53) BBOX1CA1CA4ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592175-A Preparation method of 2,5-dialkoxyl dihydrofuran compound JIANGSU QINGQUAN CHEMICAL CO LTD 2015-05-06 CN claimed
EP-1669383-B1 CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME TOSOH CORP (JP) 2014-11-12 EP claimed
US-8779018-B2 Catalyst composition for production of rigid polyurethane foam and isocyanurate-modified rigid polyurethane foam and raw-material composition containing the same TOSOH CORPORATION (JP) 2014-07-15 US claimed
EP-2050775-B1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN TOSOH CORP (JP) 2013-08-14 EP claimed
US-20120035289-A1 CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME TOSOH CORPORATION (JP) 2012-02-09 US claimed
CN-101501092-B Catalyst composition for polyurethane resin production and method for producing polyurethane resin TOSOH CORP 2011-09-28 CN claimed
CN-1860147-B Catalyst composition for manufacturing rigid polyurethane foam and isocyanurate-modified rigid polyurethane foam, and raw material formulation composition using the same TOSOH CORP 2010-06-16 CN claimed
US-20100130629-A1 CATALYST COMPOSITION FOR PRODUCTION OF POLYURETHANE RESIN AND METHOD FOR PRODUCING POLYURETHANE RESIN (AS AMENDED) TOSOH CORPORATION (JP) 2010-05-27 US claimed
CN-101501092-A Catalyst composition for polyurethane resin production and method for producing polyurethane resin TOSOH CORP (JP) 2009-08-05 CN claimed
EP-2050775-A1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN Tosoh Corporation (JP) 2009-04-22 EP claimed
US-20070112085-A1 Catalyst composition for production of rigid polyurethane foam and isocyanurate-modified rigid polysurethane foam and raw-material composition containing the same TOSOH CORPORATION (JP) 2007-05-17 US claimed
CN-1860147-A Catalyst composition for manufacturing rigid polyurethane foam and isocyanurate-modified rigid polyurethane foam, and raw material formulation composition using the same TOSOH CORP (JP) 2006-11-08 CN claimed
EP-1669383-A1 CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME Tosoh Corporation (JP) 2006-06-14 EP claimed
EP-3447822-B1 COMPOSITE SEPARATOR CONTAINING AROMATIC POLYAMIDE AND MANUFACTURING METHOD THEREOF, AND SECONDARY BATTERY MICROVAST POWER SYSTEMS CO LTD (CN) 2023-09-06 EP disclosed
US-11205821-B2 Method for preparing aromatic polyamide porous membrane and aromatic polyamide porous membrane prepared thereby MICROVAST POWER SYSTEMS CO., LTD. (CN) 2021-12-21 US disclosed
CN-109309183-B Aromatic polyamide porous membrane, preparation method and lithium ion secondary battery 微宏动力系统(湖州)有限公司 2021-08-13 CN disclosed
US-20040219372-A1 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2004-11-04 US disclosed
US-6784317-B2 QUATERNIZATION OF A TERTIARY AMINE WITH AN ORGANIC CARBOXYLIC ESTER IN THE ABSENCE OF A POLAR SOLVENT MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) 2004-08-31 US disclosed
US-20020165409-A1 Production of quaternary ammonium salt of hydroxycarboxylic acid and quaternary ammonium salt of inorganic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-11-07 US disclosed
EP-1254889-A1 Process for the preparation of quaternary ammonium salts of hydroxycarboxylic acids and quaternary ammonium salts of inorganic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-11-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020165409-A1 Production of quaternary ammonium salt of hydroxycarboxylic acid and quaternary ammonium salt of inorganic acid HCAR1, ASS1, HCAR3 BBOX1 2476/4885CA1 126/4885CA4 273/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.