TABLE 6

Structure similarity among 25 compounds from literature reports

The threshold of Tanimoto similarity coefficient used in the present study is 0.70.

Similarity PairsSimilarity ClusterSimilarity Coefficient
BMS-182874 and BMS-1873450.78
7-Hydroxymethotrexate and methotrexate0.87
Digitoxin and digoxin0.99
Digitoxin and ouabain0.70
Digoxin and ouabain0.70
Irinotecan (carboxylate) and irinotecan (lactone)0.87
Vinblastine and vincristine0.96