SCHEMBL3121986

SCHEMBL3121986

CCOP(=O)(F)OCC.O=P(O)(O)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
PPARD Q03181 2/20 0.46
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL575446 0.91
SCHEMBL3130454 0.87 TSHR (0.42) TSHRPPARDTP53TDP1CA12
SCHEMBL28702593 0.83 TSHR (0.48) TSHRPPARDTP53TDP1
SCHEMBL3133697 0.81 TSHR (0.46) TSHRPPARDTP53TDP1
SCHEMBL563900 0.80
SCHEMBL575640 0.79 TSHR (0.43) TSHRPPARDTP53TDP1CA12
SCHEMBL576372 0.78
SCHEMBL26091818 0.78 TSHR (0.48) TSHRPPARDTP53TDP1CA12
Ether SCHEMBL5932141 0.77 PPARD (0.39) TSHRPPARDTP53TDP1CA2
Ether SCHEMBL11153690 0.77 PPARD (0.39) TSHRPPARDTP53TDP1CA2

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
EP-1204157-B1 Electrolyte for non-aqueous batteries and secondary battery using the same PANASONIC CORP (JP) 2010-03-24 EP disclosed