Common fragment motifs per subpocket. In order to identify the most common fragments in each subpocket (excluding pool X), the number of occurrences of each fragment was calculated before deduplication based on the simplified fragments. The 50 most common fragments in each subpocket were then clustered based on the Butina algorithm using topological RDKit molecular fingerprints and a distance threshold of 0.6. Note that subpockets B1 and B2 contain less than 50 deduplicated fragments and thus all fragments were chosen for clustering. Furthermore, representative fragments were extracted manually for each subpocket in order to provide a visual overview on chemical differences and overlaps between subpockets.