SCHEMBL28034522

SCHEMBL28034522

O=P(O)(O)OC(F)(F)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
FDPS P14324 1/20 0.32
BLM P54132 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 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
SCHEMBL15454845 0.78 KDM4E (0.34) TDP1KDM4ETSHR
SCHEMBL19126058 0.75 KDM4E (0.39) TDP1KDM4ETSHRGABBR2GABBR1
SCHEMBL28491459 0.75 KDM4E (0.31) TDP1KDM4ETSHRGABBR2GABBR1
SCHEMBL16109712 0.72 CTSA (0.31)
Ethylene SCHEMBL5963694 0.72 KDM4E (0.36) TDP1KDM4ETSHR
SCHEMBL2991822 0.71
SCHEMBL6900274 0.71 TDP1 (0.39) TDP1KDM4ETSHRFDPSBLM
SCHEMBL5491040 0.71 TDP1 (0.39) TDP1KDM4ETSHRFDPSBLM
SCHEMBL5050503 0.71 KDM4E (0.36) TDP1KDM4ETSHR
SCHEMBL25301187 0.70 KDM4E (0.35) TDP1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104981934-A Non-aqueous electrolyte solution and electrochemical cell comprising the same NOVOLYTE TECHNOLOGIES INC 2015-10-14 CN disclosed