Acetoacetic Acid

Acetoacetic Acid

SCHEMBL6147339

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

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.65
ALDH1A1 P00352 6/20 0.42
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
EGLN1 Q9GZT9 2/20 0.39
CYP2D6 P10635 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
SOAT1 P35610 1/20 0.36
HPGD P15428 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34

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 SCHEMBL6244042 1.00 ALOX15 (0.65) ALOX15ALDH1A1LMNAHSD17B10MGAM
Acetoacetic Acid SCHEMBL8999855 0.89 ALOX15 (0.52) ALOX15ALDH1A1LMNAHSD17B10MGAM
Urethane SCHEMBL29276570 0.89 ALOX15 (0.75) ALOX15ALDH1A1LMNAHSD17B10MGAM
Acetoacetic Acid SCHEMBL8999874 0.88 ALOX15 (0.50) ALOX15ALDH1A1LMNAHSD17B10MGAM
Acetoacetic Acid SCHEMBL8999865 0.86 ALOX15 (0.48) ALOX15ALDH1A1LMNAHSD17B10MGAM
Urethane SCHEMBL29238199 0.84 ALOX15 (0.68) ALOX15ALDH1A1LMNAHSD17B10MGAM
Urethane SCHEMBL5387387 0.84 ALOX15 (0.75) ALOX15ALDH1A1LMNAHSD17B10MGAM
Urethane SCHEMBL50516 0.84 ALOX15 (0.83) ALOX15ALDH1A1LMNAHSD17B10MGAM
Urethane SCHEMBL7943960 0.84 ALOX15 (0.83) ALOX15ALDH1A1LMNAHSD17B10MGAM
Urethane SCHEMBL11239486 0.84 ALOX15 (0.83) ALOX15ALDH1A1LMNAHSD17B10MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024263666-A1 CURABLE COMPOSITIONS WITH LOW EXOTHERM HENKEL AG & CO. KGAA (DE) 2024-12-26 WO disclosed
EP-1280842-B1 AQUEOUS TWO-COMPONENT CROSS-LINKABLE COMPOSITION AKZO NOBEL COATINGS INT BV (NL) 2005-11-02 EP disclosed
EP-1280842-A1 AQUEOUS TWO-COMPONENT CROSS-LINKABLE COMPOSITION Akzo Nobel N.V. (NL) 2003-02-05 EP disclosed
US-6479151-B2 DISPERSION OF A PARTIALLY NEUTRALIZED AMINO-FUNCTIONAL EPOXY DERIVED POLYMER AND A COMPOUND WITH AT LEAST TWO ACETOACETATE GROUPS AND/OR ACETOACETAMIDE GROUPS; COATINGS WITH HARDNESS, GLOSS, WATER AND SOLVENT RESISTANCE; ADHESIVE STRENGTH AKZO NOBEL, N.V. (NL) 2002-11-12 US disclosed
US-20010056137-A1 Aqueous two-component cross-linkable composition AKZO NOBEL N.V. (NL) 2001-12-27 US disclosed
WO-2001077202-A1 AQUEOUS TWO-COMPONENT CROSS-LINKABLE COMPOSITION AKZO NOBEL N.V. (NL) 2001-10-18 WO disclosed
US-5288804-A Curable coating and film compositions comprising addition or condensation polymers; low water reactivity of aldimine allows crosslinking of aqueous polymer dispersion; quality REICHHOLD CHEMICALS, INC. (US) 1994-02-22 US disclosed
EP-0552469-A2 Acetoacetate aromatic aldimine resin composition REICHHOLD CHEMICALS, INC. (US) 1993-07-28 EP disclosed