SCHEMBL5663791

SCHEMBL5663791

CCCC(C)C1(C(C)CCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(C(C)CCC)(C(C)CCC)c3cc(I)ccc3-4)cc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 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
SCHEMBL5505071 0.95 PDK2 (0.33) PDK2
SCHEMBL5504621 0.86 PDK2 (0.38) PDK2
SCHEMBL5502635 0.86 PDK2 (0.43) PDK2
SCHEMBL5502522 0.82 PDK2 (0.32) PDK2
SCHEMBL17200988 0.79 PDK2 (0.31) PDK2
SCHEMBL5663793 0.77 — —
SCHEMBL5498377 0.76 PDK2 (0.35) PDK2
SCHEMBL13852822 0.76 PDK2 (0.34) PDK2
SCHEMBL13852825 0.76 PDK2 (0.34) PDK2
SCHEMBL5663797 0.75 NPC1 (0.32) —

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-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 — — US disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 — — US disclosed
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