SCHEMBL14958950

SCHEMBL14958950

CCC(C)(C)Sc1ccc(Sc2ccc(Sc3ccc(C(=O)c4ccc(C(CC)(CC)C(C)(CC)Oc5ccc(-c6ccc(Oc7ccc(C(=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 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL13918866 0.94 — —
SCHEMBL13918663 0.93 — —
SCHEMBL14958900 0.86 — —
SCHEMBL14958924 0.85 CASP1 (0.33) —
SCHEMBL13918853 0.85 — —
SCHEMBL13918664 0.84 — —
SCHEMBL14958993 0.84 — —
SCHEMBL13918647 0.83 — —
SCHEMBL14958906 0.81 CASP1 (0.30) —
SCHEMBL14958907 0.81 CASP1 (0.30) —

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-8445141-B2 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) 2013-05-21 — — US disclosed
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