SCHEMBL13919082

SCHEMBL13919082

CCC(C)(C)Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(C(CC)(CC)C(C)(CC)Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C(C)(CC)CC)c(S(=O)(=O)O)c8)cc7S(=O)(=O)O)cc6)cc5)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 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
SCHEMBL14958964 0.94 SCN9A (0.31) SCN9A
SCHEMBL13918666 0.93 — —
SCHEMBL13918654 0.93 — —
SCHEMBL13919843 0.91 SCN9A (0.31) SCN9A
SCHEMBL13918853 0.89 — —
SCHEMBL13919841 0.87 SCN9A (0.30) SCN9A
SCHEMBL14958924 0.86 CASP1 (0.33) —
SCHEMBL13918857 0.86 ADORA3 (0.40) —
SCHEMBL14958927 0.85 SCN9A (0.31) SCN9A
SCHEMBL14546135 0.84 ALDH1A1 (0.34) —

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
US-20090075147-A1 Sulfonic acid group-containing polymer, method for producing the same, resin composition containing such sulfonic acid group-containing polymer, polymer electrolyte membrane, polymer electrolyte membrane/electrode assembly, and fuel cell TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-03-19 — — US disclosed
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