Butanone

Butanone

SCHEMBL9748937

CCC(C)=O.CCOOCC

nearest known ligand 0.67

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
TDP1 Q9NUW8 2/20 0.67
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SOAT1 P35610 1/20 0.43
TSHR P16473 2/20 0.39
FFAR3 O14843 1/20 0.39
TRPA1 O75762 2/20 0.37
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
ALOX15 P16050 1/20 0.36
GLO1 Q04760 1/20 0.33

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
Butanone SCHEMBL1510153 0.82
Butanone SCHEMBL8379087 0.82 ALDH1A1 (1.00) ALDH1A1TDP1LMNAHSD17B10SOAT1
Butanone SCHEMBL1310 0.82
Butanone SCHEMBL1039820 0.82 ALDH1A1 (1.00) ALDH1A1TDP1LMNAHSD17B10SOAT1
SCHEMBL13174858 0.81
Butanone SCHEMBL28514267 0.80
Butanone SCHEMBL1435117 0.80 ALDH1A1 (0.67) ALDH1A1TDP1LMNAHSD17B10SOAT1
Propionic Acid SCHEMBL18419391 0.80 FFAR3 (0.67) ALDH1A1TDP1LMNAHSD17B10SOAT1
Bicarbonate SCHEMBL10901198 0.79 ALDH1A1 (0.44) ALDH1A1TDP1LMNAHSD17B10SOAT1
Butanone SCHEMBL8059306 0.79

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
US-5122580-A Polymerizing a mixture of unsaturated monomers in a tube by heating progressively from one end to the other LUMENYTE INTERNATIONAL CORPORATION (US) 1992-06-16 US disclosed