SCHEMBL10456641

SCHEMBL10456641

CC(O)COC(C)COC=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1254462 0.84
SCHEMBL12061695 0.84
SCHEMBL7254375 0.82 ALDH1A1 (0.32)
Ammonia Solution, Strong SCHEMBL28061860 0.81
Ethoxycarbonyl Group SCHEMBL15376197 0.80 TDP1 (0.43) TDP1
Ethoxycarbonyl Group SCHEMBL15375848 0.79 TDP1 (0.42) TDP1HSD17B10
SCHEMBL608712 0.78 TDP1 (0.48) TDP1MAPK1HSD17B10
SCHEMBL30439692 0.78
SCHEMBL7254653 0.77
Trimethylammonium SCHEMBL1907115 0.77 MAPK1 (0.36) MAPK1HSD17B10

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-4980503-A Contacting with active carbon in presence of carbon monoxide and halide promoted group VIII soluble transition metal catalyst TEXACO INC. (US) 1990-12-25 US disclosed