Acetic Acid

Acetic Acid

SCHEMBL8014125

C=COCCOCC.CC(=O)O

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 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 5/20 0.48
THRB P10828 2/20 0.47
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.31
LMNA P02545 2/20 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
Acrylic Acid SCHEMBL21825215 0.90 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTP53HIF1A
SCHEMBL160024 0.87
SCHEMBL292252 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTHRBTP53HIF1A
SCHEMBL409292 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTHRBTP53HIF1A
SCHEMBL3390157 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTHRBTP53HIF1A
SCHEMBL16108319 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTHRBTP53HIF1A
SCHEMBL7696762 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTHRBTP53HIF1A
Acetic Acid SCHEMBL775056 0.82 ALDH1A1 (0.67) ALDH1A1TSHRTHRBHSD17B10HPGD
Acetic Acid SCHEMBL29137469 0.82 ALDH1A1 (0.67) ALDH1A1TSHRTHRBHSD17B10HPGD
Acetic Acid SCHEMBL6676468 0.80

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690134-B1 Electrochemical sensors BAYER AG (US) 2000-01-12 EP disclosed
US-5770028-A CELLULOSE ACETATE LAYER ON REFERENCE ELECTRODE CHIRON DIAGNOSTICS CORPORATION (US) 1998-06-23 US disclosed
US-5711868-A NONCONDUCTOR SUBSTRATE, SEMIPERMEABLE MEMBRANE, WATER ABSORPTION AND HYDROPHILIC POLYMERS CHIRON DIAGNOSTICS CORPORATIION 1998-01-27 US disclosed
US-5616222-A Electrochemical sensors paste CHIRON DIAGNOSTICS CORPORATION (US) 1997-04-01 US disclosed
US-5601694-A GLUCOSE DETECTING ELECTRODE COMPRISING ACTIVE COATINGS OF AN IMMOBILIZED ENZYME ONTO PLATINIZED CARBON POWDER; ACCURACY, SENSITIVITY CIBA CORNING DIAGNOSTICS CORP. (US) 1997-02-11 US disclosed
US-5582698-A Sensor package CIBA CORNING DIAGNOSTICS CORP. (US) 1996-12-10 US disclosed
US-5573647-A Electrical contact CIBA CORNING DIAGNOSTICS CORP. (US) 1996-11-12 US disclosed
US-5529676-A Sample chamber CIBA CORNING DIAGNOSTICS CORP. (US) 1996-06-25 US disclosed
US-5494562-A ELECTRICALLY NONCONDUCTIVE SUBSTRATE, WORKING ELECTRODE, COUNTER ELECTRODE, REFERENCE ELECTRODE AND SEMIPERMEABLE MEMBRANE CIBA CORNING DIAGNOSTICS CORP. (US) 1996-02-27 US disclosed
EP-0690134-A1 Electrochemical sensors Ciba Corning Diagnostics Corp. (US) 1996-01-03 EP disclosed