Acetic Acid

Acetic Acid

SCHEMBL3683183

CC(=O)O.OCCCC(CO)CO

nearest known ligand 0.41

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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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CAMK2A Q9UQM7 1/20 0.36
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.33

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 SCHEMBL540581 1.00 ALDH1A1 (0.41) ALDH1A1LMNACAMK2AFFAR3LCK
Acetic Acid SCHEMBL10798034 0.93 LMNA (0.44) ALDH1A1LMNACAMK2AFFAR3LCK
Acetic Acid SCHEMBL10795865 0.91 LMNA (0.48) ALDH1A1LMNACAMK2ALCKGPR84
Acetic Acid SCHEMBL10794551 0.91 LMNA (0.48) ALDH1A1LMNACAMK2ALCKGPR84
Acetic Acid SCHEMBL10799491 0.91 LMNA (0.48) ALDH1A1LMNACAMK2ALCKGPR84
Acetic Acid SCHEMBL10795331 0.91 LMNA (0.48) ALDH1A1LMNACAMK2ALCKGPR84
Bicarbonate SCHEMBL1357296 0.90 CAMK2A (0.39) ALDH1A1LMNACAMK2AGPR84CHRM1
Acrylic Acid SCHEMBL11685675 0.88 LMNA (0.39) ALDH1A1LMNA
Oxalic Acid SCHEMBL28437633 0.87 CAMK2A (0.38) ALDH1A1LMNACAMK2AGPR84FFAR1
Methacrylic Acid SCHEMBL2223377 0.87 TGFBR1 (0.37) ALDH1A1LMNACAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892874-A Double decomposition unsaturated polyol ester primer and preparation method thereof 安徽江锐新材料有限公司 2020-11-06 CN claimed
US-7781506-B2 Poly(vinyl alcohol) composition comprising a polyol E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 US claimed
US-20080182937-A1 Poly(vinyl alcohol) composition comprising polyol KURARAY CO., LTD. (JP) 2008-07-31 US claimed
CN-114133090-B Method and equipment for recycling propionic acid and butyric acid secondary mother liquor water 江西吉煜新材料有限公司 2022-12-13 CN disclosed
CN-114133090-A Method and equipment for recycling propionic acid and butyric acid secondary mother liquor water 江西吉煜新材料有限公司 2022-03-04 CN disclosed
CN-111892874-A Double decomposition unsaturated polyol ester primer and preparation method thereof 安徽江锐新材料有限公司 2020-11-06 CN disclosed
US-20140123877-A1 VOC FREE PRODUCT BWE I MALMÖ AB (SE) 2014-05-08 US disclosed
EP-2699633-A1 VOC FREE PRODUCT Bwe I Malmö Ab (SE) 2014-02-26 EP disclosed
WO-2012144946-A1 VOC FREE PRODUCT BWE I MALMÖ AB (SE) 2012-10-26 WO disclosed
US-7781506-B2 Poly(vinyl alcohol) composition comprising a polyol E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 US disclosed
US-20080182937-A1 Poly(vinyl alcohol) composition comprising polyol KURARAY CO., LTD. (JP) 2008-07-31 US disclosed
US-4275174-A METHYL METHACRYLATE-STYRENE COPOLYMER FORMED IN THE PRESENCE OF A POLYOL BORIC ACID ESTER KYOWA GAS CHEMICAL INDUSTRY CO., LTD. (JP) 1981-06-23 US disclosed
US-4138300-A Process for producing a transparent shaped polymeric product JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1979-02-06 US disclosed
US-4054722-A PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JA) 1977-10-18 US disclosed
US-4007152-A PARTIALLY SAPONIFIED POLYVINYL ALCOHOL TORAY INDUSTRIES, INC. (JA) 1977-02-08 US disclosed