SCHEMBL17178157

SCHEMBL17178157

O=[PH](O)OOc1ccc(-c2ccc3ccc4ccc(-c5cc(OOP(O)O)cc(-c6ccc7ccc8ccc(-c9ccc(OOP(O)O)cc9)nc8c7n6)c5)nc4c3n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.33

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
SCHEMBL17178158 0.92 PARP1 (0.37) PARP1
SCHEMBL17146606 0.87 PARP1 (0.39) PARP1
SCHEMBL17178172 0.87 CCR1 (0.34) —
SCHEMBL17178162 0.79 MAP4K4 (0.36) PARP1
SCHEMBL17178159 0.78 PARP1 (0.42) PARP1
SCHEMBL17178164 0.76 MAP4K4 (0.37) PARP1
SCHEMBL17178147 0.76 PARP1 (0.39) PARP1
SCHEMBL17178145 0.72 PARP1 (0.41) PARP1
SCHEMBL17146620 0.71 MMP2 (0.39) PARP1
SCHEMBL17178146 0.70 PARP1 (0.44) PARP1

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-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 — — US disclosed
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