SCHEMBL6142102

SCHEMBL6142102

C=CCCc1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc(OCC)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.50
NQO1 P15559 1/20 0.41

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
SCHEMBL7859035 1.00 ACACB (0.50) ACACBNQO1
SCHEMBL7860067 0.95 ACACB (0.54) ACACBNQO1
SCHEMBL6142219 0.89 ACACB (0.52) ACACB
SCHEMBL8073008 0.87 NQO1 (0.54) ACACBNQO1
SCHEMBL7858870 0.84 TSHR (0.41) ACACB
SCHEMBL6142124 0.84 TSHR (0.41) ACACB
SCHEMBL6142015 0.84 ACACB (0.44) ACACB
SCHEMBL6141798 0.84 ACACB (0.43) ACACB
SCHEMBL10335128 0.84 ACACB (0.49) ACACB
SCHEMBL7858804 0.81 FFAR1 (0.49) 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