SCHEMBL7130273

SCHEMBL7130273

C=C(C)C(=O)OC(C)(N=C=O)N=C=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Cyclohexane SCHEMBL8842743 0.94 ALDH1A1 (0.34) ALDH1A1
SCHEMBL23633202 0.84 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL17006924 0.84 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL1848842 0.78 THRB (0.37) ALDH1A1TSHR
SCHEMBL1527802 0.75 THRB (0.35) ALDH1A1TSHR
SCHEMBL5163549 0.75 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL29071600 0.74 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL152350 0.72 TSHR (0.40) ALDH1A1TSHR
SCHEMBL1851512 0.72 TSHR (0.40) ALDH1A1TSHR
SCHEMBL321666 0.72 ALDH1A1 (0.34) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1256321-C Fluoroalkyloxy dispersant 3M INNOVATIVE PROPERTIES CO (US) 2006-05-17 CN disclosed
CN-1229411-C Non-film-forming electrophoretic latexes in fluorocarbon solvents 3M INNOVATIVE PROPERTIES CO (US) 2005-11-30 CN disclosed
US-6663668-B1 Interpenetrating polymer networks comprising acrylated polydimethylsiloxane membranes used as contact lenses NOVARTIS AG (CH) 2003-12-16 US disclosed
CN-1454207-A Fluoroalkyloxy dispersant 3M INNOVATIVE PROPERTIES CO (US) 2003-11-05 CN disclosed
CN-1454226-A Non-film-forming electrophoretic latex in fluorocarbon solvents 3M INNOVATIVE PROPERTIES CO (US) 2003-11-05 CN disclosed
EP-0944658-B1 POROUS POLYORGANOSILOXANE POLYMERS NOVARTIS AG (CH) 2003-06-25 EP disclosed
EP-0944658-A1 POROUS POLYORGANOSILOXANE POLYMERS Novartis AG (CH) 1999-09-29 EP disclosed
WO-1998025982-A1 POROUS POLYORGANOSILOXANE POLYMERS NOVARTIS AG (CH) 1998-06-18 WO disclosed