SCHEMBL6141748

SCHEMBL6141748

C=CCCc1cc(F)c(C#Cc2ccc(-c3ccc(C#Cc4ccc(C)cc4)cc3)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.35
KCNH2 Q12809 1/20 0.31
GRM5 P41594 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
SCHEMBL6142077 0.97 FFAR1 (0.33) FFAR1KCNH2
SCHEMBL7859047 0.96 FFAR1 (0.37) FFAR1KCNH2GRM5
SCHEMBL6142110 0.92 FFAR1 (0.39) FFAR1KCNH2
SCHEMBL7851984 0.92 FFAR1 (0.39) FFAR1KCNH2
SCHEMBL8755101 0.88 CYP2A6 (0.32)
SCHEMBL6142227 0.87 ACACB (0.34) FFAR1
SCHEMBL6142065 0.85 ACACB (0.33)
SCHEMBL6142146 0.83 FFAR1 (0.49) FFAR1KCNH2GRM5
SCHEMBL7858804 0.83 FFAR1 (0.49) FFAR1KCNH2GRM5
SCHEMBL7860156 0.83 ACACB (0.36) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930286-B1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2005-01-12 EP disclosed
US-6333080-B1 HIGH ANISOTROPY, HIGH ELASTIC CONSTANT RATIO, EXCELLENT COMPARABILITY WITH OTHER LIQUID-CRYSTAL COMPOUNDS, AND LOW VISCOSITY AND ARE CHEMICALLY AND PHYSICALLY STABLE CHISSO CORPORATION (JP) 2001-12-25 US disclosed
EP-0930286-A1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-21 EP disclosed