Acetic Acid

Acetic Acid

SCHEMBL7948562

CC(=O)O.CC(CC=O)CCO

nearest known ligand 0.42

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
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TRPA1 O75762 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
FFAR3 O14843 1/20 0.30

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
SCHEMBL6848601 0.91
SCHEMBL23415031 0.83 ALOX15 (0.42) ALDH1A1ALOX15
Acetic Acid SCHEMBL4950098 0.82 ALOX15 (0.50) ALDH1A1ALOX15TRPA1GABRPGABRD
Acetic Acid SCHEMBL7950964 0.81 ALDH1A1 (0.52) ALDH1A1ALOX15TRPA1GABRPGABRD
Citronellal SCHEMBL4181091 0.79 ALOX15 (0.75) ALDH1A1ALOX15
Acetic Acid SCHEMBL3388442 0.78 ALOX15 (0.42) ALDH1A1ALOX15TRPA1GABRPGABRD
SCHEMBL26106671 0.78 LMNA (0.48) ALDH1A1ALOX15
Citronellal SCHEMBL442629 0.78 ALOX15 (0.52) ALDH1A1ALOX15
SCHEMBL13438857 0.77
SCHEMBL1262417 0.76 ALDH1A1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784762-B1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2025-09-03 EP disclosed
US-20210228459-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2021-07-29 US disclosed
EP-3784762-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2021-03-03 EP disclosed
CN-112020549-A Esters and ethers of 3-methylpentanediol and unsaturated derivatives thereof and use thereof as aromachemicals 巴斯夫欧洲公司 2020-12-01 CN disclosed
EP-3561029-A1 ESTERS AND ETHERS OF 3-METHYL-PENTAN-DIOL AND UNSATURATED DERIVATES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2019-10-30 EP disclosed
US-6255276-B1 MUSK MACROMOLECULE GIVAUDEN ROURE (INTERNATIONAL) S.A. (CH) 2001-07-03 US disclosed
EP-0908455-A1 Macrocycles GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1999-04-14 EP 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 (1 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-20210228459-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL FFAR3, ELOVL3, ACMSD ALDH1A1 146/4885ALOX15 74/4885TRPA1 145/4885

“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.