Butanone

Butanone

SCHEMBL3901207

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

nearest known ligand 0.48

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 2/20 0.43
ALOX15 P16050 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
Butanone SCHEMBL1627455 0.90 ALDH1A1 (0.59) ALDH1A1TDP1TSHRALOX15
Butanone SCHEMBL8041248 0.90 ALDH1A1 (0.59) ALDH1A1TDP1TSHRALOX15
Butanone SCHEMBL959887 0.90 ALDH1A1 (0.59) ALDH1A1TDP1TSHRALOX15
Butanone SCHEMBL28114071 0.85 ALDH1A1 (0.53) ALDH1A1TDP1TSHRALOX15
Dimethylformamide SCHEMBL5861397 0.82
Butanone SCHEMBL457538 0.82
Butanone SCHEMBL17201869 0.79 ALDH1A1 (0.67) ALDH1A1TDP1TSHR
Butanone SCHEMBL2458814 0.79 ALDH1A1 (0.67) ALDH1A1TDP1TSHR
Propionic Acid SCHEMBL6470513 0.77 FFAR3 (0.43) ALDH1A1TDP1TSHR
Butanone SCHEMBL27509357 0.77 ALDH1A1 (0.56) ALDH1A1TDP1TSHR

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-7566488-B2 Surface material for ball and ball TEIJIN CORDLEY LIMITED (JP) 2009-07-28 US disclosed
US-20060199686-A1 Surface material for ball and ball TEIJIN CORDLEY LIMITED (JP) 2006-09-07 US disclosed