Acetic Acid

Acetic Acid

SCHEMBL468672

CC(=O)O.CC(=O)O.CC(=O)O.CCCCCCCCCCCC(=O)C(N)CN

nearest known ligand 0.50

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
ESR1 known ✓ P03372 1/20 0.47
CES2 O00748 1/20 0.50
PPARG P37231 5/20 0.47
PPARD Q03181 5/20 0.47
PPARA Q07869 5/20 0.47
HDAC11 Q96DB2 4/20 0.47
TSHR P16473 3/20 0.47
GPR84 Q9NQS5 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FABP4 P15090 2/20 0.47
PTPN1 P18031 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE4A P27815 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE3A Q14432 1/20 0.47

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 SCHEMBL6261375 1.00 CES2 (0.50) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL8107130 0.98 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL27538125 0.98 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL27505734 0.98 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL8103185 0.98 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL27548987 0.98 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL8093379 0.98 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL1987108 0.98 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL21049873 0.98 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
SCHEMBL2374459 0.94 CES2 (0.55) CES2TSHRGPR84ALDH1A1SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129779-B2 Thickening system in a percarbonate-containing blonding agent Henkel IP & Holding GmbH (DE) 2021-09-28 US claimed
US-11052027-B2 Use of sodium chloride in bleaching agents based on percarbonate for human hair application HENKEL AG & CO. KGAA (DE) 2021-07-06 US claimed
US-20200206100-A1 THICKENING SYSTEM IN A PERCARBONATE-CONTAINING BLONDING AGENT HENKEL AG & CO. KGAA (DE) 2020-07-02 US claimed
US-20200206104-A1 USE OF SODIUM CHLORIDE IN BLEACHING AGENTS BASED ON PRECARBONATE FOR HUMAN HAIR APPLICATION HENKEL AG & CO. KGAA (DE) 2020-07-02 US claimed
US-10159854-B2 Composition for altering the color of keratin fibers L'OREAL (FR) 2018-12-25 US claimed
US-20170266104-A1 COMPOSITION FOR ALTERING THE COLOR OF KERATIN FIBERS L'OREAL (FR) 2017-09-21 US claimed
US-9642783-B2 Depilatory compositions L'OREAL (FR) 2017-05-09 US claimed
EP-2579722-B1 SELECTIVE HERBICIDES WITH ACTIVATOR ADJUVANTS NEUDORFF W GMBH KG (DE) 2016-11-23 EP claimed
EP-1489909-B1 TRANSITION METAL CHELATES AS SELECTIVE HERBICIDE NEUDORFF W GMBH KG (DE) 2016-11-02 EP claimed
US-20150283041-A1 COMPOSITIONS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2015-10-08 US claimed
US-6509284-B1 Thermoplastic substrate layer treated with a surfactant-modified odor control agent produced by chemically reacting a surfactant-producing compound with an odor control chelating agent KIMBERLY-CLARK WORLDWIDE, INC. 2003-01-21 US claimed
EP-1261312-A2 HAIR RELAXER COMPOSITIONS UTILIZING COMPLEXING AGENT ACTIVATORS L'OREAL, S.A. (FR) 2002-12-04 EP claimed
US-20020159962-A1 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL S.A. (FR) 2002-10-31 US claimed
CN-1376075-A Layer materials treated with surfactant-modified chelating agents KIMBERLY CLARK CO (US) 2002-10-23 CN claimed
WO-2002067875-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING THE SAME L'OREAL S.A. (FR) 2002-09-06 WO claimed
US-6435193-B1 STRAIGHTENING HAIR BY LANTHIONIZING KERATIN FIBERS; FORMING HYDROXIDE IONS IN SITU IN IONIZING SOLVENT FROM MULTIVALENT METAL HYDROXIDE AND ACTIVATOR; DOES NOT LEAVE RESIDUE THAT CAUSES ASHING OR WHITENING L'OREAL S.A. (FR) 2002-08-20 US claimed
WO-2002058651-A1 HAIR RELAXER COMPOSITIONS UTILIZING CATION EXCHANGE COMPOSITIONS L'OREAL S.A. (FR) 2002-08-01 WO claimed
EP-1154806-A1 LAYER MATERIALS TREATED WITH SURFACTANT-MODIFIED CHELATING AGENTS Kimberly-Clark Worldwide, Inc. (US) 2001-11-21 EP claimed
WO-2001064171-A2 HAIR RELAXER COMPOSITIONS UTILIZING COMPLEXING AGENT ACTIVATORS L'OREAL S.A. (FR) 2001-09-07 WO claimed
WO-2000050098-A1 LAYER MATERIALS TREATED WITH SURFACTANT-MODIFIED CHELATING AGENTS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2000-08-31 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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-11129779-B2 Thickening system in a percarbonate-containing blonding agent KRT18, DSG1, POLR1C ESR1 4343/4885CES2 4446/4885PPARG 1293/4885
US-20200206100-A1 THICKENING SYSTEM IN A PERCARBONATE-CONTAINING BLONDING AGENT KRT18, DSG1, POLR1C ESR1 4343/4885CES2 4446/4885PPARG 1293/4885

“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.