SCHEMBL13616028

SCHEMBL13616028

C=C/N=C(\C=C)CNC(C)C

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
SCHEMBL20197458 0.71 TSHR (0.31) TSHR
SCHEMBL20381223 0.67
SCHEMBL22840232 0.64 TSHR (0.32) TSHR
SCHEMBL13849029 0.62
SCHEMBL19865684 0.61 TSHR (0.30) TSHR
SCHEMBL21481554 0.61
SCHEMBL21481557 0.61
SCHEMBL24337919 0.60 TSHR (0.32) TSHR
SCHEMBL18086529 0.59
SCHEMBL19636645 0.58

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-20090286693-A1 MICROARRAYS OF TAGGED COMBINATORIAL TRIAZINE LIBRARIES NEW YORK UNIVERSITY, NYU MEDICAL CENTER, DEPARTMENT OF INDUSTRIAL LIAISON (US) 2009-11-19 US disclosed