Acetic Acid

Acetic Acid

SCHEMBL6749754

C1=CCC(C2=CC=CC2)=C1.CC(=O)O

nearest known ligand 0.37

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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
FFAR3 O14843 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
EPHX2 P34913 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
Methacrylic Acid SCHEMBL27537695 0.86
Methacrylic Acid SCHEMBL28326013 0.86
Propionic Acid SCHEMBL7712839 0.83 FFAR3 (0.46) FFAR3
Maleic Acid SCHEMBL27995249 0.83 TSHR (0.41) TSHRHSD17B10TDP1
Benzene SCHEMBL27953403 0.83
SCHEMBL27884552 0.83
SCHEMBL3187920 0.83
SCHEMBL315517 0.83
Formaldehyde SCHEMBL27714969 0.80
SCHEMBL10689959 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710150-B2 SOLUBILITY IN ALKALINE AQUEOUS SOLUTION IN THE PRESENCE OF A PROTON; FOR USE IN PHOTOLITHOGRAPHY NIPPON SHOKUBAI CO., LTD. (JP) 2004-03-23 US disclosed
US-20040019152-A1 Alcoholic hydroxyl group-, aromatic ring- and protolytically leaving group-containing copolymer NIPPON SHOKUBAI CO., LTD. 2004-01-29 US disclosed
EP-1357428-A1 Alcoholic hydroxyl group-, aromatic ring- and protolytically leaving group-containing copolymer Nippon Shokubai Co., Ltd. (JP) 2003-10-29 EP disclosed
US-20020099147-A1 Solubility in alkaline aqueous solution in the presence of a proton; for use in photolithography NIPPON SHOKUBAI CO., LTD 2002-07-25 US disclosed