SCHEMBL3932147

SCHEMBL3932147

C1=[SiH]CC2=Cc3ccccc3C2=C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 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
SCHEMBL710125 0.68 PTGS2 (0.34) PTGS2
SCHEMBL30502984 0.68 PTGS2 (0.34) PTGS2
SCHEMBL19664009 0.67 PTGS2 (0.37) PTGS2
SCHEMBL5886591 0.65 ABCG2 (0.39)
SCHEMBL10354666 0.65 ABCG2 (0.39)
SCHEMBL9501499 0.64 NISCH (0.30)
SCHEMBL9118090 0.62 ABCG2 (0.38)
SCHEMBL30559885 0.62 NISCH (0.32) PTGS2
Hydrochloric Acid SCHEMBL7372695 0.61 BCAT2 (0.32)
SCHEMBL6137530 0.60 L3MBTL1 (0.37) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557596-B2 Fluorescence detection of nitrogen-containing explosives and blue organic LED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-15 US disclosed
US-20110057116-A1 FLUORESCENCE DETECTION OF NITROGEN-CONTAINING EXPLOSIVES AND BLUE ORGANIC LED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-10 US disclosed
WO-2009011806-A2 FLUORESCENCE DETECTION OF NITROGEN-CONTAINING EXPLOSIVES AND BLUE ORGANIC LED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-22 WO disclosed