SCHEMBL20565401

SCHEMBL20565401

Nc1cccc(F)c1SC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 4/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR2A P28223 2/20 0.32
PIK3CA P42336 1/20 0.31
ALOX15 P16050 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL20565620 0.78 TSHR (0.43) ALDH1A1TDP1KDM4ETSHRLMNA
SCHEMBL900168 0.75 KDM4E (0.30) ALDH1A1TDP1KDM4E
SCHEMBL900169 0.75 ACHE (0.44) ALDH1A1TDP1KDM4ETSHRLMNA
SCHEMBL10974107 0.75 HSD11B1 (0.35) ALDH1A1TDP1KDM4EHSD17B10SMN1; SMN2
SCHEMBL29701738 0.74 CYP3A4 (0.39) ALDH1A1TDP1TSHRLMNAMAPT
SCHEMBL6365906 0.74 CYP3A4 (0.39) ALDH1A1TDP1TSHRLMNAMAPT
SCHEMBL10523466 0.71 ALDH1A1 (0.39) ALDH1A1TDP1KDM4EHTR2A
SCHEMBL12474321 0.71 TAAR1 (0.31)
SCHEMBL19431567 0.69 ALDH1A1 (0.31) ALDH1A1TDP1TSHRCYP3A4HPGD
SCHEMBL900114 0.67 HTR2A (0.30) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10991972-B2 Electrolyte solution, positive electrode, and lithium-ion battery comprising the electrolyte solution and/or the positive electrode BYD COMPANY LIMITED (CN) 2021-04-27 US claimed
US-20190036156-A1 ELECTROLYTE SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY COMPRISING THE ELECTROLYTE SOLUTION AND/OR THE POSITIVE ELECTRODE BYD COMPANY LIMITED (CN) 2019-01-31 US claimed
EP-3407416-A1 ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY CONTAINING THE ELECTROLYTIC SOLUTION AND/OR THE POSITIVE ELECTRODE BYD Company Limited (CN) 2018-11-28 EP claimed
US-10991972-B2 Electrolyte solution, positive electrode, and lithium-ion battery comprising the electrolyte solution and/or the positive electrode BYD COMPANY LIMITED (CN) 2021-04-27 US disclosed
US-10991972-B2 Electrolyte solution, positive electrode, and lithium-ion battery comprising the electrolyte solution and/or the positive electrode BYD COMPANY LIMITED (CN) 2021-04-27 US disclosed
US-20190036156-A1 ELECTROLYTE SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY COMPRISING THE ELECTROLYTE SOLUTION AND/OR THE POSITIVE ELECTRODE BYD COMPANY LIMITED (CN) 2019-01-31 US disclosed
US-20190036156-A1 ELECTROLYTE SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY COMPRISING THE ELECTROLYTE SOLUTION AND/OR THE POSITIVE ELECTRODE BYD COMPANY LIMITED (CN) 2019-01-31 US disclosed
EP-3407416-A1 ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY CONTAINING THE ELECTROLYTIC SOLUTION AND/OR THE POSITIVE ELECTRODE BYD Company Limited (CN) 2018-11-28 EP disclosed