Acetic Acid

Acetic Acid

SCHEMBL6319258

C=CCC1=NC=C1.C=CCC1=NC=C1.C=CCC1=NC=C1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3]

nearest known ligand 0.31

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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
PTGS1 P23219 1/20 0.31
CA1 P00915 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 SCHEMBL657014 0.90 HSD17B10 (0.32) PTGS1
Acetic Acid SCHEMBL1838684 0.62
Acetic Acid SCHEMBL4557323 0.62 CA1 (0.47) CA1
Acetic Acid SCHEMBL2362050 0.60
Acetic Acid SCHEMBL27279038 0.59 CA1 (0.73) CA1
Acetic Acid SCHEMBL19671 0.59 CA1 (0.89) PTGS1CA1
Acetic Acid SCHEMBL18951 0.59
Acetic Acid SCHEMBL892911 0.59 CA1 (0.89) PTGS1CA1
Acetic Acid SCHEMBL6157938 0.59 CA1 (0.89) PTGS1CA1
Acetic Acid SCHEMBL11428383 0.58 CA1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887398-B1 Aluminum acetoacetate compounds, the production and use thereof as printing ink additives RWE-DEA AKTIENGESELLSCHAFT FUR MINERALOEL UND CHEMIE (DE) 2005-05-03 US disclosed