SCHEMBL5552174

SCHEMBL5552174

CCC1(CC)c2ccccc2-c2ccc(OB(O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 20/20 0.44

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
SCHEMBL5555701 0.86 PDK2 (0.47) PDK2
SCHEMBL5555741 0.85 PDK2 (0.47) PDK2
SCHEMBL5557773 0.84 PDK2 (0.48) PDK2
SCHEMBL31337101 0.84 PDK2 (0.48) PDK2
SCHEMBL30800037 0.84 PDK2 (0.48) PDK2
SCHEMBL29924351 0.80 PDK2 (0.43) PDK2
SCHEMBL5551776 0.80 PDK2 (0.43) PDK2
SCHEMBL30672129 0.80 PDK2 (0.42) PDK2
SCHEMBL29137464 0.80 PDK2 (0.42) PDK2
SCHEMBL430235 0.77 CA1 (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221434-B1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEMICALS INC (JP) 2012-06-27 EP disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-20050074631-A1 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-04-07 US disclosed