SCHEMBL780813

SCHEMBL780813

O=P(O)(O)C(c1ccccc1F)(c1ccccc1F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.44
PGK1 P00558 5/20 0.42
PGK2 P07205 5/20 0.42
KCNN4 O15554 4/20 0.40
CDC14B O60729 1/20 0.39
CDC14A Q9UNH5 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPRC P08575 1/20 0.37
ACP3 P15309 1/20 0.37

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
SCHEMBL777522 0.90 PTPN1 (0.52) PTPN1PGK1PGK2KCNN4PTPN5
SCHEMBL3890736 0.79 PGK1 (0.47) PTPN1PGK1PGK2CDC14BCDC14A
SCHEMBL779166 0.74 PTPN1 (0.41) PTPN1PGK1PGK2KCNN4CDC14B
SCHEMBL777442 0.74 PTPN1 (0.38) PTPN1PGK1PGK2KCNN4CDC14B
SCHEMBL778404 0.74 PTPN1 (0.38) PTPN1PGK1PGK2KCNN4CDC14B
SCHEMBL778974 0.74 PTPN1 (0.65) PTPN1PGK1PGK2PTPN5ACP3
SCHEMBL779927 0.71 GAA (0.36) PTPN1PGK1PGK2KCNN4CDC14B
SCHEMBL781421 0.71 PTPN1 (0.35) PTPN1PGK1PGK2KCNN4CDC14B
SCHEMBL778138 0.70 KCNN4 (0.38) PTPN1PGK1PGK2KCNN4CDC14B
SCHEMBL6489440 0.70 KCNN4 (0.42) KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed