SCHEMBL19985622

SCHEMBL19985622

C=CCCOc1ccc(-c2ccc(C3CCC(CCCCCCCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SCN9A Q15858 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
SCHEMBL19985626 1.00 GAA (0.33) GAAMAPTSCN9A
SCHEMBL19985615 1.00 GAA (0.33) GAAMAPTSCN9A
SCHEMBL19985610 0.99 GAA (0.32) GAAMAPTSCN9A
SCHEMBL19985601 0.96 SCN9A (0.32) GAAMAPTSCN9A
SCHEMBL19985309 0.93 GAA (0.32) GAAMAPTSCN9A
SCHEMBL19985571 0.93 GABRA1 (0.32) GAAMAPT
SCHEMBL19985569 0.93 GABRA1 (0.32) GAAMAPT
SCHEMBL19985299 0.93 GAA (0.32) GAAMAPTSCN9A
SCHEMBL19985565 0.93 GABRA1 (0.32) GAAMAPT
SCHEMBL19985570 0.93 GABRA1 (0.32) GAAMAPT

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed