SCHEMBL778974

SCHEMBL778974

O=P(O)(O)C(c1ccccc1)(c1ccccc1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.65
PGK1 P00558 5/20 0.55
PGK2 P07205 5/20 0.55
PTPN5 P54829 3/20 0.52
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ACP3 P15309 2/20 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
SCHEMBL9648116 0.86 PTPN1 (0.62) PTPN1PGK1PGK2PTPN5
SCHEMBL777522 0.84 PTPN1 (0.52) PTPN1PGK1PGK2PTPN5ACP3
SCHEMBL777447 0.81 PGK1 (0.50) PTPN1PGK1PGK2PTPN5
SCHEMBL6428108 0.79 PTPN1 (1.00) PTPN1PGK1PGK2PTPN5
SCHEMBL3892973 0.79 PGK1 (0.48) PTPN1PGK1PGK2PTPN5TSHR
SCHEMBL6264735 0.78 PTPN1 (0.54) PTPN1PGK1PGK2PTPN5ALDH1A1
SCHEMBL780813 0.74 PTPN1 (0.44) PTPN1PGK1PGK2PTPN5ACP3
SCHEMBL3890736 0.72 PGK1 (0.47) PTPN1PGK1PGK2PTPN5ALDH1A1
SCHEMBL1766233 0.72 PTPN1 (0.62) PTPN1PGK1PGK2PTPN5
SCHEMBL10859325 0.72 PTPN1 (0.62) PTPN1PGK1PGK2PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 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