Acetic Acid

Acetic Acid

SCHEMBL9703708

C=C(CO)CO.CC(=O)O.CC(=O)O

nearest known ligand 0.47

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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 13)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
TDP1 Q9NUW8 4/20 0.35
OR51E2 Q9H255 1/20 0.35
TGFBR1 P36897 1/20 0.34
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SLC15A2 Q16348 1/20 0.32
ALDH1A1 P00352 4/20 0.32
THRB P10828 1/20 0.31
TSHR P16473 2/20 0.30
TRPA1 O75762 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
Acetic Acid SCHEMBL11713527 1.00 FFAR3 (0.47) FFAR3LCKFYNTDP1OR51E2
Acetic Acid SCHEMBL2833260 0.83
Acetic Acid SCHEMBL1409006 0.82
Propionic Acid SCHEMBL16774628 0.81 FFAR3 (0.59) FFAR3TDP1OR51E2HSD17B10ALDH1A1
Acetoacetic Acid SCHEMBL11505796 0.81 KDM4E (0.41) FFAR3TDP1OR51E2TGFBR1LMNA
SCHEMBL229980 0.78
Urea SCHEMBL133649 0.76 TDP1 (0.43) TDP1OR51E2LMNAHSD17B10ALDH1A1
Methacrylic Acid SCHEMBL3779015 0.76 TDP1 (0.44) FFAR3LCKFYNTDP1OR51E2
Methacrylic Acid SCHEMBL148580 0.76 TDP1 (0.44) FFAR3LCKFYNTDP1OR51E2
Methacrylic Acid SCHEMBL8424558 0.75 FFAR3 (0.41) FFAR3LCKFYNTDP1OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466683-B1 LAMINATED BODY, MULTI-LAYERED STRUCTURE, AND PRODUCTION METHODS THEREFOR KURARAY CO (JP) 2022-05-11 EP disclosed
US-11020942-B2 Laminate, multilayered structure, and method for producing the same KURARAY CO., LTD. (JP) 2021-06-01 US disclosed
US-20200316920-A1 LAMINATE, MULTILAYERED STRUCTURE, AND METHOD FOR PRODUCING THE SAME KURARAY CO., LTD. (JP) 2020-10-08 US disclosed
EP-3466683-A1 LAMINATED BODY, MULTI-LAYERED STRUCTURE, AND PRODUCTION METHODS THEREFOR Kuraray Co., Ltd. (JP) 2019-04-10 EP disclosed
WO-2014016491-A1 SYNTHESISING OF METHYL PROPANEDIOL FROM ALLYL ALCOHOL ARKEMA FRANCE (FR) 2014-01-30 WO disclosed
EP-0230018-B1 PYRETHROIDE, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATTING PARASITES AS WELL AS PRECURSORS FOR THE PREPARATION OF THESE PYRETHROIDS BASF Aktiengesellschaft (DE) 1992-08-26 EP disclosed