3.5. Fingerprinting
NASH
Tanimoto coefficient (Tc) was used to evaluate the structural similarity between molecules using overlapping molecular fingerprints. The compound having minimum similarity with Lanifibranor was Raltitrexed, having a similarity score of 0.575099 and the compound with maximum similarity was Lifitegrast with a 66% score that is 0.669944 whereas Forasartan showed the similarity score of 60%. All three compounds showed similarity >50% with Lanifibranor.On similarity search, it was found that methylsulfonyl benzene, chlorobenzene, and the butyric acid group were present in both Lifitegrast and Lanifibranor. The Lanifibranor and Raltitrexed had a butyric acid group common in both. These groups can be effective in designing new drugs for NASH. Furthermore, it was also observed that the usual structural features of PPAR agonists such as sulfur, carbon, oxygen, and nitrogen except fluoride were also present in these compounds [