SCHEMBL8039280

SCHEMBL8039280

CCCC#CCc1ccc(C#Cc2ccc(CCC)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.44
FFAR4 Q5NUL3 16/20 0.44
TSPO P30536 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL8041472 0.92 FFAR1 (0.42) FFAR1FFAR4TSPODRD3
SCHEMBL8039893 0.90 FFAR1 (0.45) FFAR1FFAR4TSPODRD3
SCHEMBL8039126 0.87 FFAR1 (0.45) FFAR1FFAR4TSPODRD3
SCHEMBL7858662 0.85 FFAR1 (0.50) FFAR1FFAR4
SCHEMBL7859840 0.85 FFAR1 (0.55) FFAR1FFAR4TSPODRD3
SCHEMBL8046324 0.84 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL7857704 0.84 FFAR1 (0.49) FFAR1FFAR4TSPODRD3
SCHEMBL8029237 0.83 FFAR1 (0.33) FFAR1FFAR4
SCHEMBL8046456 0.82 RARB (0.39) FFAR1FFAR4
SCHEMBL7850785 0.81 FFAR1 (0.47) 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