According to the ‘Similarity Principle’ compounds with similar chemical structures usually possess similar physicochemical properties and biological activities. This is an underlying assumption when building QSAR models and using them for making predictions for new compounds. (However, exceptions do exist to this rule).
Chemical Similarity, Model Applicability
Glen, R. C. and Adams, S. E. Similarity Metrics and Descriptor Spaces - Which Combinations to Choose? QSAR Comb. Sci., 25(12), 1133-1142, 2006.
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Dogra, Shaillay K., "Similarity Principle" From QSARWorld--A Strand Life Sciences Web Resource.