Acetic Acid

Acetic Acid

SCHEMBL6932728

CC(=O)O.CC(SSC(C)C(=O)O)C(=O)O

nearest known ligand 0.44

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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 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC7A5 Q01650 2/20 0.35
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAP2K7 O14733 1/20 0.31
ELANE P08246 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 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
Acetic Acid SCHEMBL20593502 0.97 FFAR3 (0.41) FFAR3LCKFYNTP53ALDH1A1
SCHEMBL95981 0.94 TP53 (0.47) TP53ALDH1A1HSD17B10LMNAKDM4E
Hydrogen Sulfide SCHEMBL9001004 0.90 TP53 (0.44) TP53ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL11317937 0.90 TP53 (0.44) TP53ALDH1A1HSD17B10LMNAKDM4E
Ammonia Solution, Strong SCHEMBL8958635 0.90 TP53 (0.44) TP53ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL16303293 0.88 TP53 (0.38) FFAR3LCKFYNTP53ALDH1A1
SCHEMBL20228343 0.82 KDM4E (0.34) TP53ALDH1A1HSD17B10LMNAKDM4E
Acetic Acid SCHEMBL20593199 0.81 FFAR3 (0.44) FFAR3LCKFYNTP53ALDH1A1
SCHEMBL5086037 0.81 TP53 (0.42) TP53ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL22836201 0.80 SLC7A5 (0.42) TP53ALDH1A1HSD17B10LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197226-B1 COMPRISING DIPPING RESIN INTO A LIQUID CONTAINING POLAR COMPOUND SELECTED FROM POLAR INORGANIC COMPOUNDS AND POLAR ORGANIC COMPOUNDS AND TINTING RESIN, WHEREIN RESIN IS OBTAINED BY CURING BY POLYMERIZATION A SULFUR CONTAINING COMPOUND MITSUBISHI GAS CHEMICAL COMPANY (JP) 2001-03-06 US claimed
CN-112424193-B Episulfide compound and composition for optical material 三菱瓦斯化学株式会社 2024-03-26 CN disclosed
WO-2024048632-A1 COMPOUND AND METHOD FOR PRODUCING SAME 住友化学株式会社 2024-03-07 WO disclosed
WO-2024048634-A1 COMPOSITION, CURED PRODUCT, DISPLAY DEVICE, AND SOLID-STATE IMAGING DEVICE 住友化学株式会社 2024-03-07 WO disclosed
WO-2024048631-A1 COMPOUND AND METHOD FOR PRODUCING SAME 住友化学株式会社 2024-03-07 WO disclosed
WO-2024048635-A1 COMPOUND AND METHOD FOR PRODUCING SAME 住友化学株式会社 2024-03-07 WO disclosed
WO-2024048633-A1 COMPOSITION, CURED PRODUCT, DISPLAY DEVICE, AND SOLID-STATE IMAGING ELEMENT 住友化学株式会社 2024-03-07 WO disclosed
US-11858920-B2 Episulfide compound and composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-01-02 US disclosed
EP-3828181-B1 EPISULFIDE COMPOUND AND COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2022-07-20 EP disclosed
US-20210340129-A1 EPISULFIDE COMPOUND AND COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-11-04 US disclosed
CN-107250125-A New episulfide compounds and the composition for optical material comprising it 三菱瓦斯化学株式会社 2017-10-13 CN disclosed
CN-104768942-B Novel ring sulphur compound and composition for optical material MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN disclosed
CN-104768942-A Novel episulfide compound and optical material composition MITSUBISHI GAS CHEMICAL CO 2015-07-08 CN disclosed
CN-103703044-B Composition for optical material, and method for producing same MITSUBISHI GAS CHEMICAL CO 2015-03-18 CN disclosed
CN-103703044-A Composition for optical material, and method for producing same MITSUBISHI GAS CHEMICAL CO 2014-04-02 CN disclosed
EP-0980696-B1 Process for treating a compound having epithio structures for disposal MITSUBISHI GAS CHEMICAL CO (JP) 2003-11-26 EP disclosed
US-6197226-B1 COMPRISING DIPPING RESIN INTO A LIQUID CONTAINING POLAR COMPOUND SELECTED FROM POLAR INORGANIC COMPOUNDS AND POLAR ORGANIC COMPOUNDS AND TINTING RESIN, WHEREIN RESIN IS OBTAINED BY CURING BY POLYMERIZATION A SULFUR CONTAINING COMPOUND MITSUBISHI GAS CHEMICAL COMPANY (JP) 2001-03-06 US disclosed
US-6180753-B1 ADDING ACIDS, CURING AND SOLIDIFICATION WITH CASTING MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-01-30 US disclosed
EP-0980696-A1 Process for treating a compound having epithio structures for disposal MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-02-23 EP disclosed
EP-0928802-A2 Process for tinting a resin having a large refractivity index and optical material tinted by the process MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-07-14 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 (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-20210340129-A1 EPISULFIDE COMPOUND AND COMPOSITION FOR OPTICAL MATERIAL PRXL2A, SPTBN1, SMC2 FFAR3 4300/4885LCK 3792/4885FYN 1346/4885
US-11858920-B2 Episulfide compound and composition for optical material PRXL2A, SPTBN1, SMC2 FFAR3 4300/4885LCK 3792/4885FYN 1346/4885

“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.