Acetoacetic Acid

Acetoacetic Acid

SCHEMBL7708375

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

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
PTPN1 P18031 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31
GSTK1 Q9Y2Q3 1/20 0.31
SLC15A2 Q16348 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
Malonic Acid SCHEMBL28252452 0.87 LDHA (0.43) CAMK2ALMNAALDH1A1PTPN1FNTA
Acetic Acid SCHEMBL540581 0.85 ALDH1A1 (0.41) CAMK2ALMNAALDH1A1PTPN1GPR84
Acetic Acid SCHEMBL3683183 0.85 ALDH1A1 (0.41) CAMK2ALMNAALDH1A1PTPN1GPR84
Acetoacetic Acid SCHEMBL28656373 0.82 PTPN1 (0.39) CAMK2ALMNAKDM4EKDM6BKDM5C
Propionic Acid SCHEMBL20956275 0.81 FFAR3 (0.46) CAMK2ALMNAALDH1A1PTPN1GPR84
Butanone SCHEMBL11239084 0.81 ALDH1A1 (0.46) LMNAALDH1A1KDM4E
Glycolic Acid SCHEMBL11515132 0.81 CAMK2A (0.42) CAMK2ALMNAALDH1A1PTPN1FNTA
Acetoacetic Acid SCHEMBL5799844 0.80 GPR84 (0.48) CAMK2ALMNAALDH1A1KDM4EKDM6B
Acetoacetic Acid SCHEMBL17746195 0.80 CAMK2A (0.46) CAMK2ALMNAALDH1A1KDM4EKDM6B
Bicarbonate SCHEMBL1357296 0.80 CAMK2A (0.39) CAMK2ALMNAALDH1A1PTPN1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649145-B1 AQUEOUS ADHESIVE COMPOSITION COMPRISING A SYNTHETIC POLYMER AND LUPIN PROTEIN AKZO NOBEL COATINGS INT BV (NL) 2014-11-26 EP disclosed
EP-2649145-A2 AQUEOUS ADHESIVE COMPOSITION COMPRISING A SYNTHETIC POLYMER AND LUPIN PROTEIN Akzo Nobel Coatings International B.V. (NL) 2013-10-16 EP disclosed
US-20130252007-A1 AQUEOUS ADHESIVE COMPOSITION COMPRISING A SYNTHETIC POLYMER AND LUPIN PROTEIN AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2013-09-26 US disclosed
WO-2012076566-A2 AQUEOUS COMPOSITION AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2012-06-14 WO disclosed
US-6355713-B1 THERMOPLASTIC RESINS ARE STABILIZED WITH B-ENAMINES OR DERIVATIVES OF ALCOHOLS,SUGARS, SUGAR ALCOHOLS, GLYCOSIDES AND OLIGOSACCHARIDES; DISCOLORATION INHIBITION AKCROS, CHEMICALS (GB) 2002-03-12 US disclosed
EP-0986605-A1 BETA-KETOESTERS FOR USE AS POLYMER STABILISERS AKCROS CHEMICALS (GB) 2000-03-22 EP disclosed
WO-1998054246-A1 β-KETOESTERS FOR USE AS POLYMER STABILISERS AKCROS CHEMICALS (GB) 1998-12-03 WO disclosed