SCHEMBL1408645

SCHEMBL1408645

CCS(CC)(N=C=O)N=C=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CASP1 P29466 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
SCHEMBL25338144 0.77
SCHEMBL6637160 0.75
Propane SCHEMBL11307246 0.75 TSHR (0.32) TSHRCASP1
Fluoride SCHEMBL27985076 0.73
SCHEMBL22620522 0.73
SCHEMBL11004422 0.71
SCHEMBL6634128 0.69
SCHEMBL10022032 0.67
SCHEMBL11004415 0.67
SCHEMBL23215 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344096-B2 Phosphorus-containing polycarbonate polyol, method for production thereof, and phosphorus-containing polycarbonate polyurethane UBE INDUSTRIES, LTD. (JP) 2013-01-01 US disclosed
EP-1806378-B1 Polythiourethane UBE INDUSTRIES (JP) 2011-10-12 EP disclosed
EP-1743912-B1 POLYTHIOURETHANE UBE INDUSTRIES (JP) 2011-03-09 EP disclosed
US-20100197887-A1 PHOSPHORUS-CONTAINING POLYCARBONATE POLYOL, METHOD FOR PRODUCTION THEREOF, AND PHOSPHORUS-CONTAINING POLYCARBONATE POLYURETHANE UBE INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed
US-7544761-B2 Polythiourethane UBE INDUSTRIES, LTD. (JP) 2009-06-09 US disclosed
US-7385022-B2 Polythiocarbonate polythiol UBE INDUSTRIES, LTD. (JP) 2008-06-10 US disclosed
US-20080058477-A1 having a high refractive index and low dispersion which is obtained through a reaction between a polythiol component containing one or more polythiocarbonate polythiol and a polyisocyanate component containing a polyisocyanate and/or a polyisothiocyanate UBE INDUSTRIES, LTD. A CORPORATION 1978-96 (JP) 2008-03-06 US disclosed
EP-1806378-A2 Polythiourethane Ube Industries, Ltd. (JP) 2007-07-11 EP disclosed
US-20070129530-A1 Polythiocarbonate polythiol UBE INDUSTRIES, LTD. A CORPORATION OF JAPAN (JP) 2007-06-07 US disclosed
EP-1743912-A1 POLYTHIOURETHANE Ube Industries, Ltd. (JP) 2007-01-17 EP disclosed