SCHEMBL13897779

SCHEMBL13897779

COc1cc(C)c(Bc2c(C)cc(O[Si](C)(C)C(C)(C)C)cc2C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.35
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
PREP P48147 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.31
PTPN1 P18031 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
SCHEMBL13898183 0.88 CA12 (0.36) CA1CA12CA9PREP
SCHEMBL2912460 0.82 ALDH1A1 (0.50) CA1CA12CA9PREPALDH1A1
SCHEMBL12360713 0.79 CA12 (0.38) CA1CA12CA9PREPALDH1A1
SCHEMBL1250704 0.74 CA12 (0.40) CA1CA12CA9PREPALDH1A1
SCHEMBL13898103 0.74 ALDH1A1 (0.43) ALDH1A1PTPN1
SCHEMBL14812000 0.74 ALDH1A1 (0.41) CA1CA12CA9PREPALDH1A1
SCHEMBL17318153 0.73 CA12 (0.47) CA1CA12CA9PREPALDH1A1
SCHEMBL5993610 0.73 CA12 (0.39) CA1CA12CA9PREP
SCHEMBL10013790 0.73 CA12 (0.39) CA1CA12CA9PREPALDH1A1
SCHEMBL2059379 0.73 CA1 (0.39) CA1CA12CA9PREPALDH1A1

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-7510782-B2 Boron-containing polymer compound and organic light emitting device using the same SHOWA DENKO K.K. (JP) 2009-03-31 US disclosed
US-20070167588-A1 Boron-containing polymer compound and organic light emitting device using the same SHOWA DENKO K.K. (JP) 2007-07-19 US disclosed