The web app compared two chemical structure datasets using RDKit's Tanimoto coefficient. RDKit converted datasets into molecule objects for processing. Researchers could quantify structural similarity by calculating Tanimoto similarity between molecules from the two datasets using RDKit's FingerprintSimilarity function. This computational method efficiently identified dual inhibitors with similar structural characteristics. The user-friendly web interface allowed users to input their datasets, perform the similarity check, and gain valuable insights. The web app also let users explore compounds with similarity thresholds of 90%, 80%, and 70% to design novel dual inhibitors. This study shows that these methods can optimise drug discovery and accelerate therapeutic compound development specifically for dual inhibitors.