SCHEMBL1408712

SCHEMBL1408712

NCCN(CCO)S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL1213173 0.90 CA2 (0.55) CA2CA12CA1CA14SMN1; SMN2
SCHEMBL24248274 0.77 CA1 (0.60) CA2CA12CA1CA14
SCHEMBL1218665 0.77 CA2 (0.52) CA2CA12CA1CA14TSHR
SCHEMBL1219421 0.75 CA2 (0.50) CA2CA12CA1CA14
SCHEMBL1146117 0.71 CA12 (0.41) CA2CA12CA1CA14SMN1; SMN2
SCHEMBL1768836 0.70 GSR (0.46) CA2CA12CA1CA14ALDH1A1
SCHEMBL29220970 0.69 BLM (0.41) CA2CA12CA1CA14TSHR
SCHEMBL21300546 0.68 TSHR (0.43) CA2CA12CA1CA14ALDH1A1
SCHEMBL514600 0.66 SMN1; SMN2 (0.40) SMN1; SMN2
Sulfuric Acid SCHEMBL29165744 0.65 MAPT (0.36) 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
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-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