Acetoacetic Acid

Acetoacetic Acid

SCHEMBL8999866

CC(=O)CC(=O)O.CC(=O)CC(=O)O.CCCCC(C)C(O)(O)CC

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.35
MAPK1 P28482 1/20 0.35
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
SLC15A1 P46059 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
MAPT P10636 1/20 0.33
GPR84 Q9NQS5 4/20 0.33
CA1 P00915 2/20 0.33
PDF Q9HBH1 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL153408 0.82 FDPS (0.36) CA2MAPK1SLC15A1CA1
2-Ethylhexanoic Acid SCHEMBL4669801 0.77 CA2 (0.67) CA2MAPK1MAPTGPR84CA1
Acetoacetic Acid SCHEMBL9681644 0.74 GPR84 (0.42) CA2MAPK1PLA2G2CGPR84CA1
Acetoacetic Acid SCHEMBL9680475 0.74 GPR84 (0.42) CA2MAPK1PLA2G2CGPR84CA1
Acetoacetic Acid SCHEMBL6022554 0.73 AKR1B1 (0.48) MAPTGPR84
Acetoacetic Acid SCHEMBL7980543 0.73 AKR1B1 (0.55) BLMMAPTGPR84POLB
SCHEMBL1702605 0.72 ALDH1A1 (0.33) CA2MAPK1CA1
Acetoacetic Acid SCHEMBL28164507 0.72 CA2 (0.44) CA2MAPK1PLA2G2CMAPTGPR84
Decane SCHEMBL29408666 0.71 GPR84 (0.56) BLMMAPTGPR84POLB
Acetoacetic Acid SCHEMBL27849399 0.71 GPR84 (0.56) BLMMAPTGPR84POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995016749-A1 AQUEOUS TWO-PART ISOCYANATE-FREE CURABLE, POLYURETHANE RESIN SYSTEMS GUERTIN BROS. COATINGS AND SEALANTS LTD. (CA) 1995-06-22 WO claimed
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
EP-0572530-B1 THERMOSETTING COATING COMPOSITIONS EASTMAN CHEM CO (US) 1995-04-26 EP disclosed