SCHEMBL9416243

SCHEMBL9416243

C#CCO[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@]1(F)C(O)(F)F

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TK1 P04183 9/20 0.45

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
SCHEMBL3478 0.80 TK1 (0.49) TK1
SCHEMBL914833 0.73 TK1 (0.48) TK1
SCHEMBL16489131 0.72 RNASE1 (0.63) TK1
SCHEMBL20129801 0.72 RNASE1 (0.63) TK1
SCHEMBL9660675 0.71 TK1 (0.48) TK1
SCHEMBL7543825 0.71 TK1 (0.46) TK1
SCHEMBL3092310 0.70 TK1 (0.48) TK1
SCHEMBL1417676 0.69 TK1 (0.45) TK1
SCHEMBL1417674 0.69 TK1 (0.45) TK1
SCHEMBL1417610 0.69 TK1 (0.45) TK1

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
EP-0601520-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-06-15 EP claimed
EP-0601520-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-06-15 EP disclosed
EP-0601520-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-06-15 EP disclosed