SCHEMBL779185

SCHEMBL779185

Cc1cc(CC(F)(F)F)cc(CC(F)(F)F)c1C(=O)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PGK1 P00558 2/20 0.33
PGK2 P07205 2/20 0.33
LMNA P02545 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL777831 0.81 PGK1 (0.40) KDM4EL3MBTL1PGK1PGK2LMNA
SCHEMBL3883454 0.77 PGK1 (0.35) PGK1PGK2
SCHEMBL779186 0.73
SCHEMBL28106244 0.66 TAS1R3 (0.42) KDM4EL3MBTL1PGK1PGK2LMNA
SCHEMBL25767113 0.65 RAPGEF4 (0.31)
SCHEMBL28701742 0.64 TAS1R3 (0.41) KDM4EL3MBTL1PGK1PGK2LMNA
SCHEMBL28643929 0.64 TAS1R3 (0.41) KDM4EL3MBTL1PGK1PGK2LMNA
Acetic Acid SCHEMBL28487579 0.62 TAS1R3 (0.39) KDM4EL3MBTL1PGK1PGK2LMNA
SCHEMBL27343414 0.62 HMGB1 (0.44)
Phosphoric Acid SCHEMBL16774426 0.61 PGK1 (0.32) PGK1PGK2

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 2 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