SCHEMBL7858950

SCHEMBL7858950

C=CCC[C@H]1CC[C@H](c2cc(F)c(C#Cc3ccc(OCC)cc3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.36
ALDH1A1 P00352 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
SCHEMBL7858828 0.87 RET (0.31)
SCHEMBL6141690 0.87 ACACB (0.41) ACACBALDH1A1
SCHEMBL6142027 0.86 FFAR1 (0.31)
SCHEMBL6142074 0.86 ACACB (0.41) ACACBALDH1A1
SCHEMBL7851928 0.85 ACACB (0.34) ACACB
SCHEMBL7860125 0.85 EGLN2 (0.32)
SCHEMBL7861980 0.85 OPRL1 (0.34)
SCHEMBL6142221 0.84 ACACB (0.33) ACACB
SCHEMBL6141740 0.84 FFAR1 (0.30)
SCHEMBL6142170 0.84 ACACB (0.39) ACACBALDH1A1

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