SCHEMBL2226696

SCHEMBL2226696

CCCC(C#N)N(CC)CC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL6914555 0.82 PLA2G1B (0.38) TSHR
SCHEMBL23389005 0.79 TSHR (0.33) TSHR
SCHEMBL2563954 0.79
SCHEMBL27574488 0.77
SCHEMBL2563775 0.76 ALDH1A1 (0.33) TSHR
SCHEMBL7678871 0.75 FDPS (0.36)
SCHEMBL10867457 0.73
SCHEMBL8079312 0.71
SCHEMBL2563517 0.70
SCHEMBL6215782 0.67 TSHR (0.32) TSHR

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
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed