SCHEMBL12425259

SCHEMBL12425259

COC(=O)OCC(C)OCC(C)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.35
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17465792 0.86 TDP1 (0.43) TDP1MAPT
SCHEMBL12262513 0.85 TDP1 (0.42) TDP1MAPT
SCHEMBL15341647 0.84
SCHEMBL12262496 0.83 TDP1 (0.44) TDP1MAPTTSHRHSD17B10
Methoxymethane SCHEMBL154653 0.82 TDP1 (0.46) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL1470058 0.81 ALDH1A1 (0.39) TDP1MAPTTSHRHSD17B10SMN1; SMN2
SCHEMBL36446 0.81 TDP1 (0.48) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL536618 0.81 TDP1 (0.48) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL1870871 0.81 TDP1 (0.48) TDP1MAPTTSHRMAPK1HSD17B10
Methoxymethane SCHEMBL3383278 0.80 TDP1 (0.44) TDP1MAPTTSHRMAPK1HSD17B10

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-7977501-B2 Polyether carbonate polyols made via double metal cyanide (DMC) catalysis BAYER MATERIALSCIENCE LLC (US) 2011-07-12 US disclosed
US-20080021154-A1 Polyether carbonate polyols made via double metal cyanide (DMC) catalysis COVESTRO LLC 2008-01-24 US disclosed