SCHEMBL9943645

SCHEMBL9943645

C=CCOCC(CC)COO[Ti](OOCC(CC)COCC=C)(OOCC(CC)COCC=C)OOCC(CC)COCC=C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 1/20 0.37
CA7 P43166 1/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4683663 0.86 CA1 (0.46) CA1CA2CA9CA7MEN1
SCHEMBL17598959 0.83 CA1 (0.38) CA1CA2CA9CA7MEN1
SCHEMBL13609270 0.82 CA1 (0.46) CA1CA2CA9CA7MEN1
SCHEMBL29152101 0.77 CA1 (0.39) CA1CA2CA9CA7MEN1
SCHEMBL28273301 0.75 CA1 (0.41) CA1CA2CA9CA7MEN1
SCHEMBL10709620 0.75 CA1 (0.44) CA1CA2CA9CA7MEN1
SCHEMBL27856666 0.75 CA1 (0.41) CA1CA2CA9CA7MEN1
SCHEMBL9943647 0.74 CA1 (0.35) CA1CA2CA9CA7
SCHEMBL7086367 0.72 CA1 (0.54) CA1CA2CA9CA7MEN1
SCHEMBL20202292 0.72 CA1 (0.38) CA1CA2CA9CA7MEN1

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-20120211730-A1 Hole Blocking Layer and Method for Producing Same, and Photoelectric Conversion Element Comprising the Hole Blocking Layer and Method for Manufacturing Same IDEAL STAR INC. (JP) 2012-08-23 US disclosed
EP-2466664-A1 HOLE BLOCKING LAYER AND METHOD FOR PRODUCING SAME, AND PHOTOELECTRIC CONVERSION ELEMENT COMPRISING THE HOLE BLOCKING LAYER AND METHOD FOR MANUFACTURING SAME Ideal Star Inc. (JP) 2012-06-20 EP disclosed