SCHEMBL777831

SCHEMBL777831

Cc1cc(CC(F)(F)F)c(C(=O)P(=O)(O)O)c(CC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 4/20 0.40
PGK2 P07205 4/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.36
TPMT P51580 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL779185 0.81 KDM4E (0.33) PGK1PGK2KDM4EL3MBTL1LMNA
SCHEMBL3884616 0.77 PGK1 (0.43) PGK1PGK2KDM4EL3MBTL1LMNA
SCHEMBL779186 0.75
SCHEMBL28106244 0.70 TAS1R3 (0.42) PGK1PGK2KDM4EL3MBTL1LMNA
SCHEMBL28701742 0.69 TAS1R3 (0.41) PGK1PGK2KDM4EL3MBTL1LMNA
SCHEMBL28643929 0.69 TAS1R3 (0.41) PGK1PGK2KDM4EL3MBTL1LMNA
Acetic Acid SCHEMBL28487579 0.66 TAS1R3 (0.39) PGK1PGK2KDM4EL3MBTL1LMNA
Phosphoric Acid SCHEMBL16774426 0.65 PGK1 (0.32) PGK1PGK2
SCHEMBL28703436 0.64 ALDH1A1 (0.42) KDM4EHCRTR1HCRTR2
Phosphoric Acid SCHEMBL15475844 0.63 PGK1 (0.52) PGK1PGK2LMNATPMT

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