SCHEMBL13232015

SCHEMBL13232015

Cc1cc(-c2cc(C)cc(-c3cc(-c4cc(-c5c(F)c(F)c(F)c(F)c5F)cc(-c5c(F)c(F)c(F)c(F)c5F)c4)cc(-c4cc(-c5c(F)c(F)c(F)c(F)c5F)cc(-c5c(F)c(F)c(F)c(F)c5F)c4)c3)c2)cc(-c2cc(-c3cc(C)cc(-c4cc(C)cc(-c5cc(-c6cc(-c7cc(-c8c(F)c(F)c(F)c(F)c8F)cc(-c8c(F)c(F)c(F)c(F)c8F)c7)cc(-c7c(F)c(F)c(F)c(F)c7F)c6)cc(-c6c(F)c(F)c(F)c(F)c6F)c5)c4)c3)cc(-c3cc(-c4cc(-c5cc(-c6cc(-c7cc(-c8c(F)c(F)c(F)c(F)c8F)cc(-c8c(F)c(F)c(F)c(F)c8F)c7)cc(-c7cc(-c8c(F)c(F)c(F)c(F)c8F)cc(-c8c(F)c(F)c(F)c(F)c8F)c7)c6)cc(-c6c(F)c(F)c(F)c(F)c6F)c5)cc(-c5cc(F)c(F)c(F)c5)c4)cc(-c4cc(-c5cc(-c6cc(-c7cc(-c8c(F)c(F)c(F)c(F)c8F)cc(-c8c(F)c(F)c(F)c(F)c8F)c7)cc(-c7c(F)c(F)c(F)c(F)c7F)c6)cc(-c6c(F)c(F)c(F)c(F)c6F)c5)cc(-c5c(F)c(F)c(F)c(F)c5F)c4)c3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ DHODH Q02127 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
SCHEMBL13232020 0.91 ACHE (0.33) RAPGEF4DHODH
SCHEMBL13232018 0.91 ACHE (0.33) RAPGEF4DHODH
SCHEMBL13262529 0.89 RAPGEF4 (0.33) RAPGEF4
SCHEMBL12583212 0.89 RAPGEF4 (0.45) RAPGEF4
SCHEMBL13232028 0.84 DHODH (0.31) DHODH
SCHEMBL13232019 0.84 PTGS2 (0.31) RAPGEF4
SCHEMBL17563220 0.84 ALDH1A1 (0.36) RAPGEF4DHODH
SCHEMBL21919585 0.80 PTGS2 (0.41) RAPGEF4
SCHEMBL13986747 0.79 RAPGEF4 (0.42) RAPGEF4DHODH
SCHEMBL10014275 0.79 RAPGEF4 (0.42) RAPGEF4DHODH

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-20100167166-A1 HYPER-BRANCHED POLYMER, ELECTRODE INCLUDING THE POLYMER, ELECTROLYTE MEMBRANE INCLUDING THE POLYMER, AND FUEL CELL INCLUDING THE ELECTRODE AND/OR THE ELECTROLYTE MEMBRANE SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-07-01 — — US disclosed
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