Acetoacetic Acid

Acetoacetic Acid

SCHEMBL28404157

CC(=O)CC(=O)O.CCC=C(C)C(=O)OC

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
EGLN1 Q9GZT9 2/20 0.35
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL374910 0.88
SCHEMBL2616622 0.88
SCHEMBL18752206 0.88
Ammonia Solution, Strong SCHEMBL27414293 0.86 ALDH1A1 (0.39) MGAMGAASIMGAM2EGLN1
Acetoacetic Acid SCHEMBL28120125 0.85 MGAM (0.34) MGAMGAASIMGAM2EGLN1
Hydrochloric Acid SCHEMBL28177717 0.84 ALDH1A1 (0.37) MGAMGAASIMGAM2EGLN1
Formaldehyde SCHEMBL28138064 0.84 ALDH1A1 (0.42) MGAMGAASIMGAM2EGLN1
Acetoacetic Acid SCHEMBL27218494 0.82 KDM4E (0.37) MGAMGAASIMGAM2EGLN1
Ethylene Glycol SCHEMBL1533848 0.82 ALDH1A1 (0.36) MGAMGAASIMGAM2EGLN1
Sulfuric Acid SCHEMBL4911022 0.80 ALDH1A1 (0.34) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107459602-B Primer emulsion and preparation method and application thereof 衡水新光新材料科技有限公司 2020-04-28 CN disclosed