SCHEMBL8719331

SCHEMBL8719331

S=C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
ALDH1A1 P00352 6/20 0.36
TAS2R38 P59533 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPC1 O15118 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
SCHEMBL3076236 0.78 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL6156002 0.75 TDP1 (0.50) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL3076239 0.74 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL4821057 0.71 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL1518031 0.71 TDP1 (0.45) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL8721614 0.71 TDP1 (0.45) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL7113981 0.71 TDP1 (0.45) CYP3A4TDP1ESR1ESR2TAS2R38
SCHEMBL7532752 0.71 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL29980026 0.71 TDP1 (0.45) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL4973930 0.71 TDP1 (0.45) CYP3A4TDP1ESR1ESR2TAS2R38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004139-B Method for synthesizing propionic acid by ethanol carbonyl under low water content 华东理工大学 2022-09-02 CN claimed
CN-113004139-A Method for synthesizing propionic acid by ethanol carbonyl under low water content 华东理工大学 2021-06-22 CN claimed
CN-111253258-A Method for synthesizing methyl propionate through homogeneous-phase hydroesterification of ethylene 华东理工大学 2020-06-09 CN claimed
CN-113004139-B Method for synthesizing propionic acid by ethanol carbonyl under low water content 华东理工大学 2022-09-02 CN disclosed
CN-113004139-A Method for synthesizing propionic acid by ethanol carbonyl under low water content 华东理工大学 2021-06-22 CN disclosed
CN-111253258-A Method for synthesizing methyl propionate through homogeneous-phase hydroesterification of ethylene 华东理工大学 2020-06-09 CN disclosed
US-9299985-B2 Secondary battery and electrolyte solution for secondary battery to be used in same NEC CORPORATION (JP) 2016-03-29 US disclosed
US-9299985-B2 Secondary battery and electrolyte solution for secondary battery to be used in same NEC CORPORATION (JP) 2016-03-29 US disclosed
US-20130260218-A1 SECONDARY BATTERY AND ELECTROLYTE SOLUTION FOR SECONDARY BATTERY TO BE USED IN SAME NEC CORPORATION (JP) 2013-10-03 US disclosed
US-20130260218-A1 SECONDARY BATTERY AND ELECTROLYTE SOLUTION FOR SECONDARY BATTERY TO BE USED IN SAME NEC CORPORATION (JP) 2013-10-03 US disclosed
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 US disclosed