Acetic Acid

Acetic Acid

SCHEMBL4855776

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nearest known ligand 0.38

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 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
TSHR P16473 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
SCHEMBL9358096 0.86
SCHEMBL153615 0.86
SCHEMBL8593737 0.86
Water SCHEMBL27543897 0.83
Acetic Acid SCHEMBL11301717 0.75 FFAR3 (0.44) FFAR3TDP1ALDH1A1LCKFYN
Acetic Acid SCHEMBL4434338 0.75 ALDH1A1 (0.44) FFAR3TDP1ALDH1A1LCKFYN
Acetic Acid SCHEMBL11482149 0.75 FFAR3 (0.44) FFAR3TDP1ALDH1A1LCKFYN
Acetic Acid SCHEMBL10903251 0.75 FFAR3 (0.44) FFAR3TDP1ALDH1A1LCKFYN
Acetic Acid SCHEMBL11750370 0.71 FFAR3 (0.47) FFAR3TDP1ALDH1A1LCKFYN
Acetic Acid SCHEMBL9815980 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060301-B2 In situ mono-or diester dicarboxylate compositions ECOLAB INC. (US) 2006-06-13 US claimed
US-20030021853-A1 In situ mono-or diester dicarboxylate compositions ECOLAB USA INC. 2003-01-30 US claimed
WO-2003005818-A1 IN SITUMONO-OR DIESTER DICARBOXYLATE COMPOSITIONS ECOLAB INC. (US) 2003-01-23 WO claimed
US-11241658-B2 Compositions and methods for the reduction of biofilm and spores from membranes ECOLAB USA INC. (US) 2022-02-08 US disclosed
EP-3752278-A1 COMPOSITIONS AND METHODS FOR THE REDUCTION OF BIOFILM AND SPORES FROM MEMBRANES Ecolab USA Inc. (US) 2020-12-23 EP disclosed
US-20190275468-A1 COMPOSITIONS AND METHODS FOR THE REDUCTION OF BIOFILM AND SPORES FROM MEMBRANES ECOLAB USA INC. 2019-09-12 US disclosed
WO-2019160948-A1 COMPOSITIONS AND METHODS FOR THE REDUCTION OF BIOFILM AND SPORES FROM MEMBRANES ECOLAB USA INC. (US) 2019-08-22 WO disclosed
US-9795132-B2 Couplers for medium-chain fatty acids and disinfecting compositions ECOLAB USA INC. (US) 2017-10-24 US disclosed
US-20170258079-A1 COUPLERS FOR MEDIUM-CHAIN FATTY ACIDS AND DISINFECTING COMPOSITIONS ECOLAB USA INC. 2017-09-14 US disclosed
US-9686981-B2 Couplers for medium-chain fatty acids and disinfecting compositions ECOLAB USA INC. (US) 2017-06-27 US disclosed
US-20150173352-A1 COUPLERS FOR MEDIUM-CHAIN FATTY ACIDS AND DISINFECTING COMPOSITIONS ECOLAB USA INC. 2015-06-25 US disclosed
US-6927237-B2 Two solvent antimicrobial compositions and methods employing them ECOLAB INC. (US) 2005-08-09 US disclosed
US-20050096245-A1 Two solvent antimicrobial compositions and methods employing them ECOLAB INC. (US) 2005-05-05 US disclosed
WO-2005015996-A1 ANTIMICROBIAL COMPOSITIONS INCLUDING CARBOXYLIC ACIDS AND ALKOXYLATED AMINES ECOLAB INC. (US) 2005-02-24 WO disclosed
US-20050032668-A1 Antimicrobial compositions including carboxylic acids and alkoxylated amines ECOLAB USA INC. 2005-02-10 US disclosed
EP-1478232-A1 DIESTER DICARBOXYLATE ANTIMICROBIAL COMPOSITIONS AND METHODS EMPLOYING THEM ECOLAB INC. (US) 2004-11-24 EP disclosed
WO-2003073849-A1 DIESTER DICARBOXYLATE ANTIMICROBIAL COMPOSITIONS AND METHODS EMPLOYING THEM ECOLAB INC. (US) 2003-09-12 WO disclosed
US-20030021853-A1 In situ mono-or diester dicarboxylate compositions ECOLAB USA INC. 2003-01-30 US disclosed
WO-2003005818-A1 IN SITUMONO-OR DIESTER DICARBOXYLATE COMPOSITIONS ECOLAB INC. (US) 2003-01-23 WO disclosed
US-20020168422-A1 Two solvent antimicrobial compositions and methods employing them ECOLAB USA INC. 2002-11-14 US 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 (4 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-20150173352-A1 COUPLERS FOR MEDIUM-CHAIN FATTY ACIDS AND DISINFECTING COMPOSITIONS GFER, ACADM, HAO2 FFAR3 44/4885TDP1 3950/4885ALDH1A1 707/4885
US-20030021853-A1 In situ mono-or diester dicarboxylate compositions DDC, HCAR3, ACMSD FFAR3 14/4885TDP1 3190/4885ALDH1A1 590/4885
US-20020168422-A1 Two solvent antimicrobial compositions and methods employing them TAS2R50, HDHD5, CEL FFAR3 1487/4885TDP1 4047/4885ALDH1A1 2741/4885
US-20170258079-A1 COUPLERS FOR MEDIUM-CHAIN FATTY ACIDS AND DISINFECTING COMPOSITIONS GFER, ACADM, HAO2 FFAR3 44/4885TDP1 3950/4885ALDH1A1 707/4885

“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.