Acetic Acid

Acetic Acid

SCHEMBL9958522

CC(=O)O.CC1=C(S)CCO1

nearest known ligand 0.31

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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
TYR P14679 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL27455242 0.68
Acetic Acid SCHEMBL27816213 0.64
Propiolactone SCHEMBL28290858 0.63
Propiolactone SCHEMBL28204521 0.61
Acetic Acid SCHEMBL28091100 0.61 FFAR3 (0.41) ALDH1A1LMNATP53TSHRFFAR3
Acetic Acid SCHEMBL28432362 0.61 FFAR3 (0.41) ALDH1A1LMNATP53TSHRFFAR3
Acetic Acid SCHEMBL1674890 0.60 FFAR3 (0.58) ALDH1A1LMNATSHRFFAR3LCK
Acetic Acid SCHEMBL8158174 0.60 FFAR3 (0.58) LMNATSHRFFAR3LCKFYN
Acetic Acid SCHEMBL4305539 0.60
Acetic Acid SCHEMBL19973141 0.60 FFAR3 (0.58) ALDH1A1LMNATSHRFFAR3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240306688-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2024-09-19 US claimed
EP-4391827-A1 METHOD OF MITIGATING OFF-ODORS Givaudan SA (CH) 2024-07-03 EP claimed
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN claimed
US-11844854-B2 Fragrance materials THE PROCTER & GAMBLE COMPANY (US) 2023-12-19 US claimed
WO-2023025549-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2023-03-02 WO claimed
US-20210177721-A1 FRAGRANCE MATERIALS PROCTER & GAMBLE (US) 2021-06-17 US claimed
US-20200146960-A1 Antiperspirant and Deodorant Compositions PROCTER & GAMBLE (US) 2020-05-14 US claimed
US-10568825-B2 Antiperspirant and deodorant compositions THE PROCTER & GAMBLE COMPANY (US) 2020-02-25 US claimed
EP-3268458-A1 FRESHENING COMPOSITIONS RESISTING SCENT HABITUATION The Procter & Gamble Company (US) 2018-01-17 EP claimed
US-20170267944-A1 FRAGRANCE COMPOSITIONS PROCTER & GAMBLE (US) 2017-09-21 US claimed
WO-2015171738-A2 FRAGRANCE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2015-11-12 WO claimed
EP-2931238-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS The Procter & Gamble Company (US) 2015-10-21 EP claimed
EP-2931235-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS The Procter & Gamble Company (US) 2015-10-21 EP claimed
EP-2931854-A1 FRAGRANCE MATERIALS The Procter & Gamble Company (US) 2015-10-21 EP claimed
US-20140179748-A1 Antiperspirant and Deodorant Compositions THE PROCTER & GAMBLE COMPANY (US) 2014-06-26 US claimed
WO-2014093807-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
WO-2014093748-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
WO-2014093828-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
US-20140170102-A1 Antiperspirant and Deodorant Compositions THE PROCTER & GAMBLE COMAPNY (US) 2014-06-19 US claimed
US-20140170194-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US 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 (3 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-10568825-B2 Antiperspirant and deodorant compositions DEK, QDPR, GPX4 TYR 55/4885ALDH1A1 726/4885LMNA 4576/4885
US-20140170102-A1 Antiperspirant and Deodorant Compositions DEK, QDPR, GPX4 TYR 55/4885ALDH1A1 726/4885LMNA 4576/4885
US-20200146960-A1 Antiperspirant and Deodorant Compositions DEK, QDPR, GPX4 TYR 55/4885ALDH1A1 726/4885LMNA 4576/4885

“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.