Acetic Acid

Acetic Acid

SCHEMBL21145178

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

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 10)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
TP53 P04637 1/20 0.39
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
SLC7A5 Q01650 1/20 0.32
THPO P40225 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
Pyruvate SCHEMBL21145289 0.87 TSHR (0.35) FFAR3LCKFYNTP53TSHR
Oxalic Acid SCHEMBL21145176 0.86 TP53 (0.39) FFAR3LCKFYNTP53SLC7A5
Oxalic Acid SCHEMBL21145175 0.86 TP53 (0.39) FFAR3LCKFYNTP53SLC7A5
Hydrogen Peroxide SCHEMBL135351 0.84 ALDH1A1 (0.33) TP53ALDH1A1LMNA
Hydrogen Peroxide SCHEMBL135349 0.84 ALDH1A1 (0.33) TP53ALDH1A1LMNA
Acetic Acid SCHEMBL14782386 0.82 FFAR3 (0.39) FFAR3LCKFYNTP53ALDH1A1
Lactic Acid SCHEMBL21145264 0.80 TP53 (0.69) TP53TSHRSLC7A5
Acetic Acid SCHEMBL297627 0.79 FFAR3 (0.50) FFAR3LCKFYNTP53TSHR
Glycolic Acid SCHEMBL21145059 0.78 FFAR3 (0.35) FFAR3TP53ALDH1A1TDP1LMNA
Cadaverine Tartrate SCHEMBL21145055 0.78 TSHR (0.59) TP53TSHRLMNASLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874094-B Synthesis method of menthyl acetate 山东新和成药业有限公司 2024-07-23 CN disclosed
EP-4028382-B1 QUINONE METHIDE AND AMMONIUM SALT ANTIPOLYMERANT COMPOSITION AND METHOD ECOLAB USA INC (US) 2023-11-22 EP disclosed
CN-114874094-A Method for synthesizing menthyl acetate 山东新和成药业有限公司 2022-08-09 CN disclosed
US-11396629-B2 Quinone methide and ammonium salt antipolymerant composition and method ECOLAB USA INC. (US) 2022-07-26 US disclosed
EP-4028382-A1 QUINONE METHIDE AND AMMONIUM SALT ANTIPOLYMERANT COMPOSITION AND METHOD Ecolab USA Inc. (US) 2022-07-20 EP disclosed
CN-114502522-A Methylated quinone and ammonium salt anti-polymerization agent compositions and methods 埃科莱布美国股份有限公司 2022-05-13 CN disclosed
US-20210108141-A1 QUINONE METHIDE AND AMMONIUM SALT ANTIPOLYMERANT COMPOSITION AND METHOD ECOLAB USA INC. 2021-04-15 US disclosed
WO-2021072181-A1 QUINONE METHIDE AND AMMONIUM SALT ANTIPOLYMERANT COMPOSITION AND METHOD ECOLAB USA INC. (US) 2021-04-15 WO disclosed
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-06-11 US disclosed
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-08-08 US disclosed
EP-3518878-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION Henkel AG & Co. KGaA (DE) 2019-08-07 EP disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 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 (5 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-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, S100A10 FFAR3 2270/4885LCK 773/4885FYN 1014/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK FFAR3 1837/4885LCK 2012/4885FYN 3096/4885
US-11396629-B2 Quinone methide and ammonium salt antipolymerant composition and method SQOR, QDPR, NQO2 FFAR3 4551/4885LCK 3260/4885FYN 206/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA FFAR3 3218/4885LCK 178/4885FYN 609/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 FFAR3 2914/4885LCK 131/4885FYN 880/4885

“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.