SCHEMBL8040832

SCHEMBL8040832

CCCCC#CCc1ccc(C#Cc2cc(F)c(C3CCC(C)CC3)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.35
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL8041002 0.97 FFAR1 (0.36) TNK2FFAR1FFAR4
SCHEMBL8046434 0.93 TNK2 (0.30) TNK2
SCHEMBL8039870 0.88 ACACB (0.30)
SCHEMBL8046795 0.86 ACACB (0.31) FFAR1
SCHEMBL8039211 0.83 SPHK1 (0.41) TNK2FFAR1FFAR4
SCHEMBL8046415 0.82 GABRP (0.31)
SCHEMBL8038707 0.81 CYP2D6 (0.32)
SCHEMBL8029358 0.80 SPHK1 (0.46) TNK2FFAR1FFAR4
SCHEMBL8042601 0.79 FFAR1 (0.37) TNK2FFAR1FFAR4
SCHEMBL8040994 0.78 CYP2C9 (0.32)

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