SCHEMBL21531949

SCHEMBL21531949

CC(C)(C)C(C)(C)C(C)(C)CN

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3835379 0.77
SCHEMBL20863059 0.76 CYP2D6 (0.54) CYP2D6
SCHEMBL6298876 0.76 CYP2D6 (0.39) CYP2D6
Ammonia Solution, Strong SCHEMBL15635827 0.74 CYP2D6 (0.44) CYP2D6
Iodide SCHEMBL3390258 0.73 CYP2D6 (0.37) CYP2D6
Bromide SCHEMBL25379360 0.71 CYP2D6 (0.41) CYP2D6
Hydrochloric Acid SCHEMBL15635897 0.71 CYP2D6 (0.41) CYP2D6
Bromide SCHEMBL2188976 0.68
Bromide SCHEMBL29384080 0.68
SCHEMBL23683367 0.67 CYP2D6 (0.37) CYP2D6

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
EP-3396751-B1 STACKED BATTERY TOYOTA MOTOR CO LTD (JP) 2019-10-30 EP disclosed