SCHEMBL21097798

SCHEMBL21097798

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1OCCC(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL21098603 0.98 CNR1 (0.32) CNR1CNR2FFAR4
SCHEMBL20288547 0.95
SCHEMBL21115554 0.93 FFAR4 (0.30) CNR1CNR2FFAR4
SCHEMBL21097830 0.93 FFAR4 (0.32) CNR1CNR2FFAR4
SCHEMBL21115963 0.93
SCHEMBL21115604 0.93 CNR1 (0.35) CNR1CNR2
SCHEMBL21098604 0.93 CNR1 (0.35) CNR1CNR2
SCHEMBL21097831 0.92 APP (0.33) CNR1CNR2FFAR4
SCHEMBL21098602 0.92 FASN (0.36) CNR1CNR2FFAR4
SCHEMBL24180766 0.92

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-11072742-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2021-07-27 US disclosed
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed