SCHEMBL5505074

SCHEMBL5505074

CC[C@H](C)CC1(C[C@@H](C)CC)c2cc(Br)ccc2-c2ccc(I)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
SCHEMBL5663793 0.95
SCHEMBL19831170 0.91 PDK2 (0.35) PDK2
SCHEMBL5504622 0.91 PDK2 (0.35) PDK2
SCHEMBL5502914 0.84 PDK2 (0.43) PDK2
SCHEMBL5653817 0.84 PDK2 (0.43) PDK2
SCHEMBL12321120 0.82 PDK2 (0.35) PDK2
SCHEMBL5498380 0.81 PDK2 (0.32) PDK2
SCHEMBL5501884 0.81 PDK2 (0.32) PDK2
SCHEMBL2135089 0.80
SCHEMBL5502237 0.80 PDK2 (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed