SCHEMBL5095663

SCHEMBL5095663

OCCOCCc1ccccc1C1(c2ccccc2CCOCCO)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.41
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL5108740 0.97 PDK2 (0.40) PDK2
SCHEMBL5095668 0.83 PDK2 (0.39) PDK2OPRM1OPRD1
SCHEMBL4819227 0.81 PDK2 (0.38) PDK2OPRM1OPRD1
SCHEMBL783450 0.76 PDK2 (0.58) PDK2OPRM1OPRD1
SCHEMBL29602609 0.76 PDK2 (0.58) PDK2OPRM1OPRD1
SCHEMBL29399278 0.76 PDK2 (0.58) PDK2OPRM1OPRD1
SCHEMBL996751 0.76 PDK2 (0.58) PDK2OPRM1OPRD1
SCHEMBL29530902 0.76 PDK2 (0.58) PDK2OPRM1OPRD1
SCHEMBL783463 0.76 PDK2 (0.58) PDK2OPRM1OPRD1
SCHEMBL29574412 0.76 PDK2 (0.58) PDK2OPRM1OPRD1

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
US-20080026135-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY 2008-01-31 US disclosed
US-7271406-B2 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-18 US disclosed
EP-1618169-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M Innovative Properties Company (US) 2006-01-25 EP disclosed
WO-2004096948-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 WO disclosed
US-20040214036-A1 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 US disclosed