SCHEMBL6142260

SCHEMBL6142260

C=CCCc1ccc([C@H]2CC[C@H](c3ccc(C#Cc4ccc(OC(F)C(F)(F)F)cc4)cc3)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.34

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
SCHEMBL7851966 0.93 FFAR1 (0.37) ACACB
SCHEMBL7859001 0.90 ACACB (0.37) ACACB
SCHEMBL7858833 0.88 ESR2 (0.32) ACACB
SCHEMBL6141749 0.87 ESR2 (0.31) ACACB
SCHEMBL6141833 0.86 ACACB (0.35) ACACB
SCHEMBL7852001 0.86 ACACB (0.35) ACACB
SCHEMBL6142012 0.85 P2RY14 (0.32)
SCHEMBL6141733 0.85
SCHEMBL6141675 0.84 FFAR1 (0.39) ACACB
SCHEMBL7851988 0.83 ACACB (0.35) ACACB

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