SCHEMBL531313

SCHEMBL531313

CCCOC(C)(CN)OCCC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
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
SCHEMBL1254027 0.80 DNM1 (0.42) TSHR
SCHEMBL14118722 0.80 DNM1 (0.42) TSHR
SCHEMBL735816 0.80 CYP2D6 (0.35) CYP2D6
Bromide SCHEMBL17686897 0.79 DNM1 (0.42) TSHR
Bromide SCHEMBL17686903 0.79 DNM1 (0.42) TSHR
SCHEMBL10717020 0.77 CYP2D6 (0.37) CYP2D6
SCHEMBL9498984 0.77 TSHR (0.46) TSHR
SCHEMBL191241 0.76
SCHEMBL9501369 0.74 TSHR (0.32) TSHR
SCHEMBL9096601 0.74 CA1 (0.31)

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-2012013673-A1 BIODEGRADABLE TISSUE ADHESIVE BAYER MATERIALSCIENCE AG (DE) 2012-02-02 WO disclosed