SCHEMBL13474635

SCHEMBL13474635

C=C1OB(c2ccc(B3OC(=C)C(C)(C)O3)cc2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.38
LIPG Q9Y5X9 12/20 0.38
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
F11 P03951 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
SCHEMBL2756805 0.92 LPL (0.50) LPLLIPGCA1CA2CA9
SCHEMBL13186080 0.92 LPL (0.34) LPLLIPG
SCHEMBL13509394 0.92 LPL (0.34) LPLLIPG
SCHEMBL12512630 0.91 LPL (0.33) LPLLIPGF11
SCHEMBL14231975 0.91 LPL (0.51) LPLLIPG
SCHEMBL13217765 0.91 LPL (0.33) LPLLIPG
SCHEMBL13184458 0.90 LPL (0.43) LPLLIPG
SCHEMBL13100287 0.88 CA1 (0.36) LPLLIPGCA1CA2CA9
SCHEMBL12189219 0.86 LPL (0.39) LPLLIPGF11
SCHEMBL12189220 0.86 LPL (0.39) LPLLIPGF11

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-2514736-A1 Intermediates for Polymers BASF SE (DE) 2012-10-24 EP disclosed
WO-2008012250-A1 NOVEL POLYMERS CIBA HOLDING INC. (CH) 2008-01-31 WO disclosed