SCHEMBL13299259

SCHEMBL13299259

CC1CCC(C(=O)OC2CCC(C)C(F)C2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31

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
SCHEMBL18069639 0.95 — —
SCHEMBL13299245 0.95 — —
SCHEMBL16588496 0.87 CHRM2 (0.31) CHRM2CHRM4CHRM1CHRM3
SCHEMBL16803178 0.83 — —
SCHEMBL18087355 0.81 — —
SCHEMBL25605997 0.74 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL13784340 0.72 CYP19A1 (0.32) —
SCHEMBL14465424 0.71 CHRNB2 (0.30) —
SCHEMBL25547051 0.71 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3
SCHEMBL14330785 0.70 — —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150036095-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-02-05 — — US disclosed
US-20130234066-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-09-12 — — US disclosed
US-20100134751-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2010-06-03 — — US disclosed
US-20080308768-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-12-18 — — US disclosed
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