SCHEMBL28089228

SCHEMBL28089228

COOOC(C)CCC(C)(C)CN

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33

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
SCHEMBL28066643 0.75
SCHEMBL28062751 0.71
SCHEMBL28069703 0.69
SCHEMBL22677515 0.69 CYP2D6 (0.47) CYP2D6
SCHEMBL28241820 0.68
SCHEMBL2485063 0.68 CYP2D6 (0.45) CYP2D6
SCHEMBL3317247 0.67 CYP2D6 (0.35) CYP2D6
SCHEMBL7089823 0.66 CYP2D6 (0.43) CYP2D6
SCHEMBL18821596 0.64 CYP2D6 (0.41) CYP2D6
SCHEMBL12658040 0.64 CYP2D6 (0.41) 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
CN-105873674-A Process for manufacturing double-walled microcapsules, microcapsules prepared by this process and the use thereof 微胶囊科技公司 2016-08-17 CN disclosed