Acetic Acid

Acetic Acid

SCHEMBL5586511

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CCCC(N)(CN)[Si](OC)(OC)OC.[Na+].[Na+].[Na+]

nearest known ligand 0.32

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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 2)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.32
CA1 P00915 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
SCHEMBL231392 0.86 FDPS (0.32) FDPS
SCHEMBL11584903 0.66
Hydrochloric Acid SCHEMBL25305152 0.65 SMPD1 (0.37) FDPS
Acetic Acid SCHEMBL1970150 0.62 CA1 (0.41) CA1
Acetic Acid SCHEMBL1934738 0.61 CA1 (0.60) CA1
Acetic Acid SCHEMBL7960655 0.61
Acetic Acid SCHEMBL8658370 0.61 CA1 (0.69) CA1
SCHEMBL12662196 0.60 FDPS (0.43) FDPS
Acetic Acid SCHEMBL11473958 0.59 CA1 (0.50) CA1
Acetic Acid SCHEMBL11455481 0.59 CA1 (0.50) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838173-A2 METHOD OF PREVENTING OR REDUCING OFF-FLAVOR IN A BEVERAGE USING SILANE-TREATED SILICA FILTER MEDIA DOW CORNING CORPORATION (US) 2007-10-03 EP claimed
WO-2006065556-A2 METHOD OF PREVENTING OR REDUCING OFF-FLAVOR IN A BEVERAGE USING SILANE-TREATED SILICA FILTER MEDIA DOW CORNING CORPORATION (US) 2006-06-22 WO claimed