SCHEMBL27653258

SCHEMBL27653258

Cc1cc(C)cc(C2([N+](=O)[O-])C=C([N+](=O)[O-])C=CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL7010827 0.72 CA1 (0.31) TSHR
SCHEMBL2677181 0.69
SCHEMBL17595079 0.69
SCHEMBL11651861 0.66
SCHEMBL28745511 0.63 GPR35 (0.33) TSHRGPR35
SCHEMBL775953 0.63
SCHEMBL14777112 0.63
SCHEMBL15659260 0.61
SCHEMBL3618771 0.60
SCHEMBL7631120 0.59 MAPT (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100528937-C Method for producing carbonyl rest-containing organosilicon compounds WACKER CHEMIE GMBH (DE) 2009-08-19 CN disclosed
CN-1906230-A Method for producing carbonyl group-containing organosilicon compound WACKER CHEMIE GMBH (DE) 2007-01-31 CN disclosed