SCHEMBL13413670

SCHEMBL13413670

C=COCCCCOC(=O)NCC1(C)CC(NC(=O)NCCCCCCCCCCCCCCCCCC)CC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
EPHX2 P34913 3/20 0.41
EPHX1 P07099 12/20 0.41
ACHE P22303 6/20 0.39

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
SCHEMBL13413671 0.86 TSHR (0.47) TSHREPHX2EPHX1ACHE
SCHEMBL13413654 0.86 TSHR (0.60) TSHREPHX1ACHE
SCHEMBL983495 0.83 TSHR (0.64) TSHREPHX1ACHE
SCHEMBL1953272 0.83 TSHR (0.64) TSHREPHX1ACHE
SCHEMBL1024870 0.83 TSHR (0.64) TSHREPHX1ACHE
SCHEMBL980008 0.83 TSHR (0.64) TSHREPHX1ACHE
SCHEMBL1953152 0.83 TSHR (0.64) TSHREPHX1ACHE
SCHEMBL1954247 0.83 TSHR (0.64) TSHREPHX1ACHE
SCHEMBL1840088 0.83 TSHR (0.64) TSHREPHX1ACHE
SCHEMBL983174 0.82 TSHR (0.66) TSHREPHX1ACHE

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