Acetoacetic Acid

Acetoacetic Acid

SCHEMBL8999855

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

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
PKM P14618 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
EGLN1 Q9GZT9 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2D6 P10635 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 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 SCHEMBL8999865 0.93 ALOX15 (0.48) ALOX15PKMKDM4EALDH1A1LMNA
Acetoacetic Acid SCHEMBL6244042 0.89 ALOX15 (0.65) ALOX15PKMKDM4EALDH1A1LMNA
Acetoacetic Acid SCHEMBL6147339 0.89 ALOX15 (0.65) ALOX15PKMKDM4EALDH1A1LMNA
Urethane SCHEMBL10985410 0.85 ALOX15 (0.71) ALOX15PKMKDM4EALDH1A1LMNA
Acetoacetic Acid SCHEMBL8999874 0.81 ALOX15 (0.50) ALOX15PKMKDM4EALDH1A1LMNA
Acetoacetic Acid SCHEMBL2703176 0.81 KDM4E (0.42) KDM4EALDH1A1LMNAEGLN1MGAM
Acetoacetic Acid SCHEMBL649819 0.81 KDM4E (0.42) KDM4EALDH1A1LMNAEGLN1MGAM
Acetoacetic Acid SCHEMBL17746182 0.81 KDM4E (0.42) KDM4EALDH1A1LMNAEGLN1MGAM
Acetoacetic Acid SCHEMBL17746194 0.81 KDM4E (0.42) KDM4EALDH1A1LMNAEGLN1MGAM
Acetoacetic Acid SCHEMBL17746185 0.81 KDM4E (0.42) KDM4EALDH1A1LMNAEGLN1MGAM

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