SCHEMBL7851966

SCHEMBL7851966

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

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
FFAR4 Q5NUL3 2/20 0.33
ACACB O00763 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
SCHEMBL6142260 0.93 ACACB (0.34) ACACB
SCHEMBL7859050 0.86 FFAR1 (0.39) FFAR1FFAR4ACACB
SCHEMBL7859001 0.83 ACACB (0.37) FFAR1ACACB
SCHEMBL7858869 0.82 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL6141774 0.82 HAO1 (0.33) FFAR1
SCHEMBL7858861 0.81 FFAR1 (0.41) FFAR1FFAR4ACACB
SCHEMBL7858833 0.81 ESR2 (0.32) ACACB
SCHEMBL7857862 0.81 IDO1 (0.31)
SCHEMBL6141749 0.81 ESR2 (0.31) ACACB
SCHEMBL6141833 0.80 ACACB (0.35) FFAR1ACACB

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