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Sugi Predict / Compounds / SCHEMBL429090

SCHEMBL429090

SCHEMBL429090

CC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5cc(-c7ccc8cc(-c9ccc%10ccccc%10c9)ccc8c7)ccc5-6)ccc3-4)cc21

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 20/20 0.50

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
SCHEMBL431261 1.00 PDK2 (0.50) PDK2
SCHEMBL431275 0.96 PDK2 (0.47) PDK2
SCHEMBL429088 0.96 PDK2 (0.47) PDK2
SCHEMBL430001 0.93 PDK2 (0.47) PDK2
SCHEMBL431657 0.91 PDK2 (0.54) PDK2
SCHEMBL14367163 0.91 PDK2 (0.44) PDK2
SCHEMBL14367178 0.88 PDK2 (0.53) PDK2
SCHEMBL14367179 0.88 PDK2 (0.53) PDK2
SCHEMBL14367186 0.86 PDK2 (0.55) PDK2
SCHEMBL12393763 0.85 PDK2 (0.61) PDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841004-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-09-23 — — US disclosed
US-20120061657-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-15 — — US disclosed