SCHEMBL6141749

SCHEMBL6141749

C=CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(C#Cc4ccc(OC(F)C(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.31
ACACB O00763 2/20 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
SCHEMBL7858833 0.99 ESR2 (0.32) ESR2ACACB
SCHEMBL6141733 0.96
SCHEMBL6142012 0.96 P2RY14 (0.32)
SCHEMBL6142260 0.87 ACACB (0.34) ACACB
SCHEMBL7851988 0.86 ACACB (0.35) ACACB
SCHEMBL6141774 0.84 HAO1 (0.33)
SCHEMBL6142046 0.84 ACACB (0.34) ESR2ACACB
SCHEMBL6141668 0.83 ACACB (0.33) ACACB
SCHEMBL6142152 0.83 ACACB (0.35) ESR2ACACB
SCHEMBL6141751 0.81 ACACB (0.38) 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