To better understand the neighbourhood behaviour of all approaches, we conducted a visual analysis of the most similar molecules for two queries. The first query, Tovinontrine (Figure ), is considered "easy" because it has an analogue with Tanimoto similarity higher than 0.9 based on ISIDA and ECFP descriptors. The second query, Bersacapavir (Figure ), is considered "hard" as it has no analogues in the ChEMBL 27 data set. Thus, the most similar structure for this query does not exceed a Tanimoto coefficient of 0.65 based on ISIDA, 0.45 in the case of ECFP and 0.55 with VQGAE latent vectors.