SCHEMBL24275677

SCHEMBL24275677

CC1(C)c2ccccc2C(F)(F)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 13/20 0.46
▸ LIPG Q9Y5X9 13/20 0.46
▸ ROCK1 Q13464 1/20 0.37
▸ P4HB P07237 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ F11 P03951 1/20 0.33

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
SCHEMBL24275638 0.95 LPL (0.50) LPLLIPGROCK1P4HBBACE1
SCHEMBL29914599 0.79 LPL (0.47) LPLLIPGROCK1CA1CA2
SCHEMBL23294563 0.79 LPL (0.47) LPLLIPGROCK1CA1CA2
SCHEMBL29639987 0.78 LPL (0.49) LPLLIPGROCK1P4HBCA1
SCHEMBL10018883 0.78 LPL (0.49) LPLLIPGROCK1P4HBCA1
SCHEMBL29450660 0.78 LPL (0.49) LPLLIPGROCK1P4HBBACE1
SCHEMBL29674722 0.78 LPL (0.49) LPLLIPGROCK1P4HBBACE1
SCHEMBL70348 0.78 LPL (0.49) LPLLIPGROCK1P4HBBACE1
SCHEMBL23349135 0.78 LPL (0.45) LPLLIPGROCK1P4HBCA1
SCHEMBL21995589 0.78 LPL (0.45) LPLLIPGROCK1P4HBBACE1

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
US-20230380267-A1 COMPOUNDS FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-23 — — US disclosed
US-20230380267-A1 COMPOUNDS FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-23 — — US disclosed
WO-2022069422-A1 COMPOUNDS FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-07 — — WO disclosed
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