SCHEMBL13232019

SCHEMBL13232019

Cc1cc(-c2cc(-c3cc(-c4cc(F)c(F)c(F)c4F)cc(-c4c(F)c(F)c(F)c(F)c4F)c3)cc(-c3c(F)c(F)c(F)c(F)c3F)c2)cc(-c2cc(F)c(F)c(F)c2F)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.31
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ PTGS1 P23219 1/20 0.30

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
SCHEMBL13232015 0.84 RAPGEF4 (0.38) RAPGEF4
SCHEMBL13232020 0.84 ACHE (0.33) RAPGEF4
SCHEMBL13232018 0.84 ACHE (0.33) RAPGEF4
SCHEMBL13232028 0.82 DHODH (0.31) —
SCHEMBL17563220 0.77 ALDH1A1 (0.36) PTGS2RAPGEF4
SCHEMBL4147998 0.76 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL13262529 0.75 RAPGEF4 (0.33) RAPGEF4
SCHEMBL25217680 0.74 KCNQ3 (0.33) PTGS2PTGS1
SCHEMBL5046783 0.74 — —
SCHEMBL26017718 0.74 — —

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 2 patents. 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
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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