SCHEMBL10180065

SCHEMBL10180065

O=C(Oc1cc(F)c(F)c(F)c1F)C(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.34
CES1 P23141 3/20 0.34
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL10180794 0.83 CES2 (0.42) CES2CES1CA1CA2CA4
SCHEMBL10180346 0.81 CES2 (0.41) CES2CES1KDM4ETSHRNPSR1
SCHEMBL10180490 0.80 GABRA1 (0.35) CES2CES1CA1CA2CA4
SCHEMBL474387 0.79 CES2 (0.39) CES2CES1CA1CA2CA4
SCHEMBL20156673 0.78 CES2 (0.38) CES2CES1CA1CA2CA4
SCHEMBL28784902 0.78 KMT2A (0.36) CA1CA2KDM4ETSHRNPSR1
SCHEMBL31006941 0.76 CYP4F2 (0.47) CES2CES1KDM4ETSHRTDP1
SCHEMBL31613088 0.76 MEN1 (0.38) CES2CES1CA1CA2CA4
SCHEMBL10180337 0.76 CES2 (0.41) CES2CES1CA1CA2CA4
SCHEMBL823844 0.76 CYP4F2 (0.47) CES2CES1KDM4ETSHRTDP1

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-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed