TABLE 5

Structural similarity among 50 BMS compounds

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

Program CodeSimilarity PairSimilarity ClusterSimilarity Coefficient
DIV and IX0.72
IXV and XVI0.77
XV and XVIII0.72
XV and XIX0.72
XVI and XVIII0.74
XVI and XIX0.93
XVIII and XIX0.72
IXXII and XXIII0.72
JXXIV and XLIV0.72
XL and XLIV0.83
XL and XLV0.71
XLIV and XLV0.91
IXXV and XXVII0.79
JXXVI and XXIX0.92
XXVI and XXXI0.88
XXVI and XXXVIII0.76
XXIX and XXXI0.95
XXIX and XXXVIII0.71
JXXX and XXXII0.72
XXX and XXXIII0.72
XXX and XXXVI0.81
XXXIII and XXXV0.89
XXXIII and XXXVI0.89
XXXV and XXXVI0.79
LXLI and XLII0.71
XLI and XLIII0.97
XLII and XLIII0.73
JXLVII and XLVIII0.88