SCHEMBL19106902

SCHEMBL19106902

CC(C)OC(=O)NNC(=O)OOC(=O)NNC(=O)OOC(=O)NOC#N

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL19106903 0.81 TSHR (0.43) TSHR
SCHEMBL143364 0.74 TSHR (0.50) TSHR
SCHEMBL19106905 0.71
SCHEMBL19509181 0.71 TSHR (0.42) TSHR
Water SCHEMBL11650852 0.71 TSHR (0.42) TSHR
SCHEMBL11651635 0.68 TSHR (0.43) TSHR
SCHEMBL19508782 0.68 TSHR (0.43) TSHR
SCHEMBL24635151 0.66 TSHR (0.48) TSHR
SCHEMBL1142641 0.66 TSHR (0.42) TSHR
SCHEMBL10872036 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170198085-A1 POLYURETHANE-MODIFIED EPOXY RESIN, METHOD FOR PRODUCING SAME, EPOXY RESIN COMPOSITION AND CURED PRODUCT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-07-13 US disclosed