SCHEMBL3663587

SCHEMBL3663587

COCCOCCO[Si](CCCN)(OCCOCCOC)OCCOCCOC.CO[Si](CCCNCCN)(OC)OC

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL3876861 0.89
SCHEMBL3751938 0.88 CA12 (0.39) DDAH1CA12CA2CA3CA4
SCHEMBL37765 0.84 DDAH1 (0.32) DDAH1CA2
SCHEMBL27588681 0.83 CA12 (0.35) CA12CA2CA3CA4CA6
SCHEMBL2062490 0.83 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL1968749 0.82 CA12 (0.35) CA12CA2CA3CA4CA6
SCHEMBL6120500 0.81 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL7121736 0.80 CA12 (0.35) CA12CA2CA3CA4CA6
SCHEMBL450006 0.80 CA12 (0.35) CA12CA2CA3CA4CA6
SCHEMBL7620546 0.80 CA12 (0.38) CA12CA2CA3CA4CA6

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
EP-2220156-A1 HYDROPHOBIC MODIFICATION OF MINERAL FILLERS AND MIXED POLYMER SYSTEMS Pacific Polymers Pty Ltd (AU) 2010-08-25 EP disclosed
WO-2009059382-A1 HYDROPHOBIC MODIFICATION OF MINERAL FILLERS AND MIXED POLYMER SYSTEMS PACIFIC POLYMERS PTY LTD (AU) 2009-05-14 WO disclosed