Active immunotherapy is emerging as a potential therapeutic approach for prostate cancer. First phase I trials of an Ii-Key/HER-2/neu(776–790) hybrid peptide vaccine (AE37) with recombinant granulocyte macrophage colony-stimulating factor as adjuvant in patients with HER-2/neu+prostate cancer have shown positive resutls. The primary functionalities of ChemMine Tools fall into five major application areas: data visualization, structure comparisons, similarity searching, compound clustering and prediction of chemical properties. First, users can upload compound data sets to the online Compound Workbench. Numerous utilities are provided for compound viewing, structure drawing and format interconversion. Second, pairwise structural similarities among compounds can be quantified. Third, interfaces to ultra-fast structure similarity search algorithms are available to efficiently mine the chemical space in the public domain. These include fingerprint and embedding/ indexing algorithms. Fourth, the service includes a Clustering Toolbox that integrates cheminformatic algorithms with data mining utilities to enable systematic structure and activity based analyses of custom compound sets. Fifth, physicochemical property descriptors of custom compound sets can be calculated. These descriptors are important for assessing the bioactivity profile of compounds in silico and quantitative structure—activity relationship (QSAR) analyses. ChemMine Tools is available at: http://chemmine.ucr.ed. Here, in Biogenea we for the first time discovered a COMPUTER-assisted Identified Ii-Key/HER-2/ neu (776-790) Hybrid Peptide-mimotopic poly-mimic chemostructure with vaccine-like active pharmacophore sites as a novel inhibitor trans-activator in Prostate Cancer Patients using the ChemMine tools. An online service for analyzing and clustering small molecules.