Several studies reported thus far focus on the use of chemical space as an approach to assess the diversity of different datasets and explore the relationships between compound collections, from which valuable conclusions or interpretations have been obtained. For instance, the chemical space of natural compounds has been compared with other collections of compounds such as drugs approved for clinical use, synthetic molecules, and food chemicals . In general, NPs are characterized by covering a region of chemical space more extensively than synthetic compounds and approved drugs, and they also populate areas in the chemical space that are generally not synthetically accessible . The structural uniqueness and complexity of NPs have encouraged the continued use of these compounds to identify bioactive compounds for further development, optimization, or inspire the synthesis of compounds with unique scaffolds .