SCHEMBL13066249

SCHEMBL13066249

O=P(Cc1ccc(Cc2ccccc2)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ CALM1 P0DP23 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PLA2G10 O15496 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42

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
SCHEMBL755028 0.91 CYP3A4 (0.68) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL518265 0.91 CYP3A4 (0.68) CYP3A4CYP2C19MEN1KMT2AALDH1A1
Naphthalene SCHEMBL28276940 0.85 CYP3A4 (0.61) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL16413936 0.85 CYP3A4 (0.61) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL29119882 0.83 CYP3A4 (0.59) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL29119860 0.82 CYP3A4 (0.58) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL29119917 0.82 CYP3A4 (0.58) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL18486517 0.82 CYP3A4 (0.58) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL10910019 0.82 CYP3A4 (0.58) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL28330128 0.82 CYP3A4 (0.58) CYP3A4CYP2C19MEN1KMT2AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10103401-B2 Polymer electrolyte composition and polymer electrolyte membrane, polymer electrolyte membrane with catalyst layer, membrane electrode assembly, and polymer electrolyte fuel cell each using the same TORAY INDUSTRIES, INC. (JP) 2018-10-16 — — US disclosed
EP-3131145-B1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME TORAY INDUSTRIES (JP) 2018-09-05 — — EP disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 — — US disclosed
EP-3131145-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME Toray Industries, Inc. (JP) 2017-02-15 — — EP disclosed
US-20100292376-A1 PHOSPHORUS-CONTAINING FLAME RETARDANTS CHEMTURA CORPORATION (US) 2010-11-18 — — US disclosed
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