SCHEMBL8029151

SCHEMBL8029151

CCC#CCc1ccc(C#Cc2cc(F)c(C)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
FFAR1 O14842 10/20 0.35
FFAR4 Q5NUL3 3/20 0.32
KCNH2 Q12809 2/20 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
SCHEMBL8039140 0.88 ACACB (0.34) ACACBFFAR1FFAR4KCNH2
SCHEMBL8039326 0.86 FFAR1 (0.34) ACACBFFAR1FFAR4KCNH2
SCHEMBL8041509 0.85 FFAR1 (0.39) ACACBFFAR1FFAR4
SCHEMBL8042601 0.85 FFAR1 (0.37) ACACBFFAR1FFAR4KCNH2
SCHEMBL8039292 0.84 FFAR1 (0.42) ACACBFFAR1FFAR4KCNH2
SCHEMBL8040988 0.83 FFAR1 (0.41) ACACBFFAR1FFAR4
SCHEMBL8040883 0.83 FFAR1 (0.35) ACACBFFAR1KCNH2
SCHEMBL8039893 0.79 FFAR1 (0.45) ACACBFFAR1FFAR4
SCHEMBL8039120 0.79 ACACB (0.38) ACACBFFAR1FFAR4
SCHEMBL11980725 0.77 FFAR1 (0.41) FFAR1FFAR4

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-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed