SCHEMBL7859018

SCHEMBL7859018

C=CCCc1ccc(C#Cc2ccc(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.39
FFAR1 O14842 9/20 0.38
DAO P14920 1/20 0.36
PLAU P00749 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
KDM1A O60341 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
SCHEMBL8821833 0.81 FFAR1 (0.37) FFAR1PLAUFFAR4
SCHEMBL7859005 0.80 FFAR1 (0.35) FFAR1PLAUFFAR4
SCHEMBL7861902 0.79 TAAR1 (0.46) KIF11FFAR1DAO
SCHEMBL18747284 0.79 FFAR1 (0.31) FFAR1
SCHEMBL29637029 0.78 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL18746652 0.78 FFAR1 (0.32) FFAR1PLAU
SCHEMBL7859065 0.78 TRPV4 (0.41) FFAR1DAOFFAR4
SCHEMBL18746993 0.77 FFAR1 (0.31) KIF11FFAR1
SCHEMBL18746529 0.77 FFAR1 (0.32) FFAR1
SCHEMBL7860143 0.77 FFAR1 (0.33) FFAR1PLAUFFAR4

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-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