The Similar Compounds tab provides a list of chemicals that are similar in structureEXIT to the selected chemical, and is based on the Tanimoto similarityEXIT search metric with a minimum similarity factor threshold of 0.8. Since the chemicals set is displayed in the usual Table format utilized across the rest of the application the chemicals set can be toggled between table and structure tile mode and, for the case of similarity searches, sorted based on increasing and decreasing similarity score. The resulting set of chemicals can be downloaded in various formats including Excel, comma-separated values (CSV) and SDF formats (generally readable by chemoinformatics tools such as ChemDraw, ACD/ChemSketch and others). The hit list can be filtered in the same way as all other chemical results in terms of filtering out isotopically labeled chemicals, multiple component substances etc.

A chemical can match multiple chemicals with a similarity search match factor of >0.8, for example, see Bisphenol A similarity matches which has over 400 chemicals above that threshold. It is possible to have multiple chemicals with a match factor of 1.0, which might be assumed to be a perfect match but is, rather, an indication of the match of the structure bitstring fingerprint.