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SCHEMBL13918655

SCHEMBL13918655

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ RRM1 P23921 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
SCHEMBL13918657 0.95 CASP1 (0.30) —
SCHEMBL13918744 0.94 RRM1 (0.32) RRM1
SCHEMBL13918915 0.93 RRM1 (0.31) RRM1
SCHEMBL13918723 0.92 — —
SCHEMBL14958967 0.91 — —
SCHEMBL13918634 0.91 — —
SCHEMBL12807621 0.91 RRM1 (0.34) RRM1
SCHEMBL14958917 0.90 NPC1 (0.30) RRM1
SCHEMBL14546134 0.89 CASP1 (0.34) RRM1
SCHEMBL13918859 0.88 ADORA3 (0.37) —

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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