SCHEMBL20565735

SCHEMBL20565735

CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)c3c2Oc2ccccc2O3)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.43
LIPG Q9Y5X9 12/20 0.43
AHR P35869 3/20 0.38
P4HB P07237 1/20 0.32
ANPEP P15144 1/20 0.32
LAP3 P28838 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALOX5 P09917 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
SCHEMBL18563346 0.87 AHR (0.43) LPLLIPGAHRP4HBALOX5
SCHEMBL21764400 0.80 LPL (0.37) LPLLIPG
SCHEMBL31676639 0.80 LPL (0.34) LPLLIPG
SCHEMBL22159670 0.80 LPL (0.34) LPLLIPG
SCHEMBL31676557 0.80 P2RX4 (0.35) LPLLIPG
SCHEMBL22117346 0.79 LPL (0.35) LPLLIPG
SCHEMBL19794970 0.79 DRD1 (0.38) LPLLIPGAHR
SCHEMBL17072806 0.79 LPL (0.36) LPLLIPG
SCHEMBL17870916 0.79 LPL (0.39) LPLLIPGAHR
SCHEMBL22117334 0.78 LPL (0.37) LPLLIPG

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
WO-2020130613-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 두산솔루스 주식회사 2020-06-25 WO disclosed
WO-2020130613-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 두산솔루스 주식회사 2020-06-25 WO disclosed
WO-2018212463-A1 ORGANIC LIGHT-EMITTING COMPOUND, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-11-22 WO disclosed