SCHEMBL2120280

SCHEMBL2120280

CCCCCCCCCCCC[N+]1(C)C=CN=C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
THRB P10828 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
Iodide SCHEMBL1227461 0.98 TSHR (0.31) TSHRTHRB
Fluoride SCHEMBL28439244 0.98 TSHR (0.31) TSHRTHRB
Bromide SCHEMBL3192843 0.98 TSHR (0.31) TSHRTHRB
Iodide SCHEMBL29913225 0.98 TSHR (0.31) TSHRTHRB
Hydrochloric Acid SCHEMBL7755591 0.98 TSHR (0.31) TSHRTHRB
Fluoride SCHEMBL28438447 0.96
Hydrochloric Acid SCHEMBL22411194 0.96
SCHEMBL28709976 0.93
SCHEMBL28608882 0.91
Iodide SCHEMBL412001 0.90

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-20120094192-A1 COMPOSITE NANOWIRE COMPOSITIONS AND METHODS OF SYNTHESIS UT-BATTELLE, LLC (US) 2012-04-19 US disclosed