Acetic Acid

Acetic Acid

SCHEMBL6065660

C=C(C)C(=O)OC(C)N(C)C.CC(=O)O

nearest known ligand 0.41

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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 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.31

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
SCHEMBL14983 0.96 TSHR (0.43) TSHRALDH1A1THRB
Methacrylic Acid SCHEMBL5984544 0.94 TSHR (0.39) TSHRALDH1A1
Hydrochloric Acid SCHEMBL129148 0.94 TSHR (0.42) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL5702351 0.94 TSHR (0.42) TSHRALDH1A1THRB
Methyl Alcohol SCHEMBL21326729 0.94 TSHR (0.42) TSHRALDH1A1THRB
Bromide SCHEMBL1302921 0.94 TSHR (0.42) TSHRALDH1A1THRB
Fluoride SCHEMBL1303213 0.94 TSHR (0.42) TSHRALDH1A1THRB
Iodide SCHEMBL1302038 0.94 TSHR (0.42) TSHRALDH1A1THRB
Acetic Acid SCHEMBL18298040 0.93 TSHR (0.36) TSHRALDH1A1
Chloromethane SCHEMBL127391 0.92 TSHR (0.41) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110101877-B Ultrasonic contrast agent capable of being activated under acidic pH condition of tumor microenvironment as well as preparation method and application thereof 中山大学 2020-12-04 CN claimed
JP-2006500254-A 2006-01-05 JP claimed
EP-1545894-A1 COMPOSITIONS FOR INK-JET INK-RECEPTOR SHEETS 3M Innovative Properties Company (US) 2005-06-29 EP claimed
WO-2004028821-A1 COMPOSITIONS FOR INK-JET INK-RECEPTOR SHEETS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-04-08 WO claimed
US-20040059045-A1 Water resistant inkjet photo paper 3M INNOVATIVE PROPERTIES COMPANY 2004-03-25 US claimed
EP-0213317-B1 BASE-CATALYZED, LOW TEMPERATURE SELF-CROSSLINKING POLYMERS National Starch and Chemical Investment Holding Corporation (US) 1991-12-04 EP claimed
US-4788267-A CONTAINING HALOHYDRIN MONOMER AND AMINE SALT MONOMER NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-11-29 US claimed
EP-0213317-A2 Base-catalyzed, low temperature self-crosslinking polymers National Starch and Chemical Investment Holding Corporation (US) 1987-03-11 EP claimed
US-4343729-A Organic pigments HERCULES INCORPORATED (US) 1982-08-10 US claimed
US-4293666-A GRAFT POLYMERIZING UNSATURATED MONOMER ONTO WATER SOLUBLE CATIONIC PREPOLYMER HERCULES INCORPORATED (US) 1981-10-06 US claimed
US-4281082-A FILLERS FOR PAPER, GRAFT POLYMERS OF CATIONIC AMINE MONOMERS HERCULES INCORPORATED (US) 1981-07-28 US claimed
CN-115232528-A Super-hydrophilic antibacterial coating sol and preparation method and application thereof 泉州师范学院 2022-10-25 CN disclosed
CN-115181468-A Super-hydrophilic self-cleaning coating sol and preparation method and application thereof 泉州师范学院 2022-10-14 CN disclosed
CN-110101877-B Ultrasonic contrast agent capable of being activated under acidic pH condition of tumor microenvironment as well as preparation method and application thereof 中山大学 2020-12-04 CN disclosed
CN-110101877-B Ultrasonic contrast agent capable of being activated under acidic pH condition of tumor microenvironment as well as preparation method and application thereof 中山大学 2020-12-04 CN disclosed
US-4293667-A GRAFT POLYMERIZING UNSATURATED MONOMER ONTO WATER SOLUBLE CATIONIC PREPOLYMER HERCULES INCORPORATED (US) 1981-10-06 US disclosed
US-4282060-A A CATIONIC GRAFT ADDITION POLYMER; PAPER FILLERS; OPACITY HERCULES INCORPORATED (US) 1981-08-04 US disclosed
US-4281082-A FILLERS FOR PAPER, GRAFT POLYMERS OF CATIONIC AMINE MONOMERS HERCULES INCORPORATED (US) 1981-07-28 US disclosed
US-4248939-A OVERCOATING WITH AN ORGANIC PIGMENT WHICH IS A GRAFT POLYMER OF UNSATURATED MONOMERS AND PREPOLYMERS HERCULES INCORPORATED (US) 1981-02-03 US disclosed
US-4235982-A POLYMERIC FILLERS FOR PAPER HERCULES, INCORPORATED (US) 1980-11-25 US disclosed