SCHEMBL20117650

SCHEMBL20117650

CC1CCC(COc2cc3c(c(F)c2F)-c2c-3ccc(CCC=C(F)F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
SCN9A Q15858 3/20 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
SCHEMBL20111422 0.90 PARP10 (0.33) HPGDSCN9A
SCHEMBL20102460 0.88
SCHEMBL20117601 0.83 SCN9A (0.36) HPGDSCN9A
SCHEMBL20117803 0.80 SCN9A (0.35) HPGDSCN9A
SCHEMBL20111240 0.78 SCN9A (0.35) HPGDSCN9A
SCHEMBL20117668 0.78 ACHE (0.30)
SCHEMBL20117747 0.77 HPGD (0.36) HPGDSCN9A
SCHEMBL20111285 0.77 HPGD (0.36) HPGDSCN9A
SCHEMBL20111270 0.77 HPGD (0.36) HPGDSCN9A
SCHEMBL20117669 0.76 SCN9A (0.43) HPGDSCN9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 EP disclosed