SCHEMBL24275668

SCHEMBL24275668

CC1(C)OB(c2ccc3c(c2)C(F)(F)C(F)(F)O3)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 13/20 0.42
▸ LIPG Q9Y5X9 13/20 0.42
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ F11 P03951 2/20 0.34
▸ ROCK1 Q13464 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 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
SCHEMBL12423977 0.79 LPL (0.41) LPLLIPGBACE1BACE2CA1
SCHEMBL15614858 0.79 LPL (0.43) LPLLIPGBACE1BACE2CA1
SCHEMBL16891264 0.77 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL1230718 0.77 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL23568130 0.76 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL24700307 0.76 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL23294563 0.73 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL16426153 0.73 LIPG (0.44) LPLLIPGCA1CA2CA9
SCHEMBL29914599 0.73 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL15614859 0.73 TSHR (0.48) LPLLIPGCA1CA2CA9

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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