SCHEMBL9494993

SCHEMBL9494993

CC[C@H]1CC[C@H](C#Cc2ccc(C(F)(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.38
P2RY6 Q15077 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
BACE1 P56817 1/20 0.32
ACACB O00763 2/20 0.30
NR1H2 P55055 1/20 0.30

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
SCHEMBL9495003 1.00 FFAR1 (0.38) FFAR1P2RY6FFAR4BACE1ACACB
SCHEMBL10509152 0.95 FFAR1 (0.35) FFAR1P2RY6FFAR4BACE1
SCHEMBL9495564 0.90 FFAR1 (0.37) FFAR1P2RY6FFAR4BACE1ACACB
SCHEMBL9495558 0.90 FFAR1 (0.37) FFAR1P2RY6FFAR4BACE1ACACB
SCHEMBL9497126 0.88 FFAR1 (0.39) FFAR1P2RY6FFAR4BACE1ACACB
SCHEMBL9497138 0.88 FFAR1 (0.39) FFAR1P2RY6FFAR4BACE1ACACB
SCHEMBL9496097 0.88 FFAR1 (0.35) FFAR1P2RY6FFAR4BACE1
SCHEMBL9496088 0.88 FFAR1 (0.35) FFAR1P2RY6FFAR4BACE1
SCHEMBL9497431 0.87 FFAR1 (0.35) FFAR1P2RY6FFAR4BACE1
SCHEMBL9497441 0.87 FFAR1 (0.35) FFAR1P2RY6FFAR4BACE1

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
EP-0306505-B1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1993-03-24 EP disclosed
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed