Acetoacetic Acid

Acetoacetic Acid

SCHEMBL8999865

CC(=O)CC(=O)O.CC(=O)CC(=O)O.CCC(CO)(CO)CO.CCOC(N)=O

nearest known ligand 0.48

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 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
Acetoacetic Acid SCHEMBL8999855 0.93 ALOX15 (0.52) ALOX15KDM4EPKMLMNAHSD17B10
Acetoacetic Acid SCHEMBL6244042 0.86 ALOX15 (0.65) ALOX15KDM4EPKMLMNAHSD17B10
Acetoacetic Acid SCHEMBL6147339 0.86 ALOX15 (0.65) ALOX15KDM4EPKMLMNAHSD17B10
Urethane SCHEMBL11888715 0.86 ALOX15 (0.65) ALOX15KDM4EPKMLMNAHSD17B10
Acetoacetic Acid SCHEMBL649054 0.84 KDM4E (0.38) KDM4EPKMLMNAALDH1A1EGLN1
Acetoacetic Acid SCHEMBL8999876 0.84 KDM4E (0.38) KDM4EPKMLMNAALDH1A1EGLN1
Acetoacetic Acid SCHEMBL7708376 0.84 KDM4E (0.38) KDM4EPKMLMNAALDH1A1EGLN1
Acetoacetic Acid SCHEMBL651230 0.84 KDM4E (0.38) KDM4EPKMLMNAALDH1A1EGLN1
Acetoacetic Acid SCHEMBL6022244 0.84 KDM4E (0.38) KDM4EPKMLMNAALDH1A1EGLN1
Methacrylic Acid SCHEMBL10993666 0.82 ALOX15 (0.50) ALOX15KDM4EPKMLMNAHSD17B10

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
US-5567761-A BLEND OF ACETOACETYLATED POLYMER AND A POLYACRYLATE; GLOSS, HARDNESS GUERTIN BROS. COATINGS AND SEALANTS LTD. (CA) 1996-10-22 US disclosed
WO-1995016749-A1 AQUEOUS TWO-PART ISOCYANATE-FREE CURABLE, POLYURETHANE RESIN SYSTEMS GUERTIN BROS. COATINGS AND SEALANTS LTD. (CA) 1995-06-22 WO disclosed