SCHEMBL91737

SCHEMBL91737

Cc1cc(C2CCC(C)CO2)cc(C)c1-c1ccc(-c2cc(F)c(C)c(F)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 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
SCHEMBL91683 0.92
SCHEMBL91738 0.90 HSD11B1 (0.37) HSD11B1
SCHEMBL91744 0.90
SCHEMBL4438570 0.88 CHRM2 (0.32) HSD11B1
SCHEMBL91770 0.88 HSD11B1 (0.31) HSD11B1
SCHEMBL91713 0.87 HSD11B1 (0.38) HSD11B1
SCHEMBL91769 0.85 MAOB (0.32)
SCHEMBL91772 0.84
SCHEMBL10074042 0.83
SCHEMBL91759 0.83

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
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7419706-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-02 US disclosed