SCHEMBL17778142

SCHEMBL17778142

CCN[C@H]1CCC[C@H](F)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 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
SCHEMBL17778109 1.00 FUCA1 (0.41) FUCA1
SCHEMBL17778110 1.00 FUCA1 (0.41) FUCA1
SCHEMBL26712896 0.83
SCHEMBL24819126 0.83
SCHEMBL24820458 0.83
SCHEMBL17778125 0.79 FUCA1 (0.44) FUCA1
SCHEMBL17778143 0.79 FUCA1 (0.44) FUCA1
SCHEMBL17778100 0.79 FUCA1 (0.44) FUCA1
SCHEMBL17778138 0.78 FUCA1 (0.42) FUCA1
SCHEMBL17780138 0.77 IRAK1 (0.30)

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-2016081679-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 WO disclosed