Acetoacetic Acid

Acetoacetic Acid

SCHEMBL8999874

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM4E B2RXH2 2/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CAD P27708 1/20 0.32
PKM P14618 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 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 SCHEMBL6147339 0.88 ALOX15 (0.65) ALOX15ALDH1A1LMNAHSD17B10HPGD
Acetoacetic Acid SCHEMBL6244042 0.88 ALOX15 (0.65) ALOX15ALDH1A1LMNAHSD17B10HPGD
Urethane SCHEMBL8337407 0.86 ALOX15 (0.68) ALOX15ALDH1A1LMNAHSD17B10GAA
Acetoacetic Acid SCHEMBL648595 0.82 LMNA (0.45) ALDH1A1LMNAEGLN1GAAMGAM
Acetoacetic Acid SCHEMBL29155554 0.82 LMNA (0.45) ALDH1A1LMNAEGLN1GAAMGAM
Acetoacetic Acid SCHEMBL491497 0.82 LMNA (0.45) ALDH1A1LMNAEGLN1GAAMGAM
Acetoacetic Acid SCHEMBL491475 0.82 LMNA (0.45) ALDH1A1LMNAEGLN1GAAMGAM
Acetoacetic Acid SCHEMBL8999855 0.81 ALOX15 (0.52) ALOX15ALDH1A1LMNAHSD17B10HPGD
Sebacic Acid SCHEMBL18323023 0.80 ALOX15 (0.50) ALOX15ALDH1A1LMNAHSD17B10KDM4E
Acetoacetic Acid SCHEMBL8999865 0.79 ALOX15 (0.48) ALOX15ALDH1A1LMNAHSD17B10EGLN1

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