SCHEMBL13413664

SCHEMBL13413664

C=CCOCCOC(=O)NCC1(C)CC(NC(=O)OCCOCC=C)CC(C)(C)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
EPHX1 P07099 1/20 0.34
KCNA3 P22001 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 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
SCHEMBL12644314 0.89 TSHR (0.67) TSHREPHX1KCNA3GAATDP1
SCHEMBL18123391 0.88 TSHR (0.59) TSHREPHX1TDP1
SCHEMBL13573768 0.86 TSHR (0.63) TSHREPHX1TDP1MAPT
SCHEMBL21667490 0.86 TSHR (0.63) TSHREPHX1TDP1MAPT
SCHEMBL12862502 0.86 TSHR (0.63) TSHREPHX1TDP1MAPT
SCHEMBL12172788 0.86 TSHR (0.63) TSHREPHX1TDP1MAPT
SCHEMBL16131273 0.86 TSHR (0.57) TSHRKCNA3
SCHEMBL13413671 0.85 TSHR (0.47) TSHREPHX1
SCHEMBL21657466 0.84 TSHR (0.55) TSHREPHX1
SCHEMBL20887867 0.84 TSHR (0.55) TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674842-B2 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION (US) 2010-03-09 US disclosed
US-7674842-B2 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION (US) 2010-03-09 US disclosed
US-7541406-B2 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION (US) 2009-06-02 US disclosed
US-7541406-B2 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION (US) 2009-06-02 US disclosed
US-7449515-B2 Phase change inks containing compounds derived from isocyanate, unsaturated alcohol, and polyol XEROX CORPORATION (US) 2008-11-11 US disclosed
US-7449515-B2 Phase change inks containing compounds derived from isocyanate, unsaturated alcohol, and polyol XEROX CORPORATION (US) 2008-11-11 US disclosed
US-20070123642-A1 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION 2007-05-31 US disclosed
US-20070123642-A1 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION 2007-05-31 US disclosed
US-20070123641-A1 Phase change inks containing compounds derived from isocyanate, unsaturated alcohol, and polyol XEROX CORPORATION 2007-05-31 US disclosed
US-20070123641-A1 Phase change inks containing compounds derived from isocyanate, unsaturated alcohol, and polyol XEROX CORPORATION 2007-05-31 US disclosed
US-20070120909-A1 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION 2007-05-31 US disclosed
US-20070120909-A1 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION 2007-05-31 US disclosed