SCHEMBL8041001

SCHEMBL8041001

CCCC#CCc1ccc(C#Cc2cc(F)c(-c3ccc(C)cc3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
FFAR1 O14842 2/20 0.34
GRM5 P41594 1/20 0.33
ADK P55263 2/20 0.31
ACACB O00763 2/20 0.31
GRM4 Q14833 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
SCHEMBL8042875 0.93 KCNH2 (0.40) KCNH2FFAR1GRM5ADK
SCHEMBL8040080 0.91 KCNH2 (0.41) KCNH2FFAR1GRM5
SCHEMBL8040883 0.90 FFAR1 (0.35) KCNH2FFAR1GRM5ADKACACB
SCHEMBL8046384 0.86 KCNH2 (0.36) KCNH2FFAR1GRM5
SCHEMBL8039112 0.85 FFAR1 (0.37) KCNH2FFAR1GRM5ADKACACB
SCHEMBL8041073 0.85 KCNH2 (0.44) KCNH2FFAR1GRM5ACACB
SCHEMBL8039140 0.84 ACACB (0.34) KCNH2FFAR1ACACB
SCHEMBL8042902 0.83 KCNH2 (0.47) KCNH2FFAR1GRM5ACACB
SCHEMBL8039120 0.81 ACACB (0.38) FFAR1ACACB
SCHEMBL8029237 0.80 FFAR1 (0.33) KCNH2FFAR1GRM5ACACB

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