SCHEMBL24487378

SCHEMBL24487378

COc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCOC(C)=O)cc3)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.50
FFAR1 O14842 2/20 0.43
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
APP P05067 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL13827130 0.86 ACACB (0.44) ACACBFFAR1MTNR1AMTNR1BMCHR1
SCHEMBL12437043 0.83 ACACB (0.44) ACACBFFAR1
SCHEMBL15811237 0.81 THRB (0.46) ACACBFFAR1
SCHEMBL24731345 0.80 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL19821127 0.79 THRB (0.46) ACACBFFAR1
SCHEMBL19821118 0.78 THRB (0.45) ACACBFFAR1
SCHEMBL14996353 0.76 APP (0.69) ACACBFFAR1APP
SCHEMBL10448687 0.76 ACACB (0.50) ACACBFFAR1APPMCHR1
SCHEMBL19821122 0.76 THRB (0.49) ACACBFFAR1
SCHEMBL12437038 0.75 ACACB (0.40) ACACBFFAR1

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-11697769-B2 Polymerizable liquid crystal material and polymerized liquid crystal film MERCK PATENT GMBH (DE) 2023-07-11 US disclosed
US-20220177782-A1 POLYMERIZABLE LIQUID CRYSTAL MATERIAL AND POLYMERIZED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2022-06-09 US disclosed