SCHEMBL8632388

SCHEMBL8632388

C=CC=NCCCCC.N#CC1NC1C#N

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
SCHEMBL27394427 0.78 TSHR (0.48) TSHR
SCHEMBL19288688 0.78 TSHR (0.48) TSHR
SCHEMBL7366833 0.74
SCHEMBL6263872 0.67 TSHR (0.41) TSHR
SCHEMBL17130611 0.65
SCHEMBL14865444 0.65 TSHR (0.47) TSHR
SCHEMBL11700157 0.65
SCHEMBL11413908 0.61 NAAA (0.41) TSHR
SCHEMBL27648890 0.60 TSHR (0.38) TSHR
SCHEMBL14865445 0.60 TSHR (0.38) 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-1998007688-A1 DIAMINOMALEONITRILE DERIVATIVE COMPOUNDS, POLYMERS, AND METHOD OF PRODUCING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-02-26 WO disclosed