Acetic Acid

Acetic Acid

SCHEMBL5083116

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CCC(N)(O)CN.[Fe+3]

nearest known ligand 0.36

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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
CA1 P00915 2/20 0.36
CA4 P22748 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 SCHEMBL1970150 0.95 CA1 (0.41) CA1CA4
Acetic Acid SCHEMBL5082566 0.95 CA1 (0.36) CA1
Acetic Acid SCHEMBL168535 0.86 MEN1 (0.35)
Acetic Acid SCHEMBL5446128 0.86 MEN1 (0.35)
Acetic Acid SCHEMBL1970151 0.84 MEN1 (0.34)
SCHEMBL321976 0.83
Carbamic Acid SCHEMBL19211626 0.81 MEN1 (0.35)
Acetic Acid SCHEMBL11415707 0.80 CA1 (0.44) CA1CA4
SCHEMBL20678765 0.80
Trimethylammonium SCHEMBL27297434 0.75

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-1940228-A2 BAIT COMPOSITIONS COMPRISING AT LEAST ONE SPINOSYN AND ONE MOLLUSCICIDE W. Neudorff GmbH KG (DE) 2008-07-09 EP claimed
WO-2007031565-A2 BAIT COMPOSITIONS COMPRISING AT LEAST ONE SPINOSYN AND ONE MOLLUSCICIDE W. NEUDORFF GMBH KG (DE) 2007-03-22 WO claimed