Our Hit Locator Library (HLL) comes at its third edition, designed to represent Enamine’s entire screening compounds collection. HLL is a sizable diverse set enriched with newly synthesized latest and unique compounds, with 70% of them available exclusively at Enamine. Over 25% of the compounds from HLL were synthesized within the last four years, providing competitive advantage to access the latest compounds in primary screening campaigns. By purchasing access to the 234 240 compounds in the HLL library, you will additionally get a broad possibility for hit expansion either from the largest commercially available Enamine’s stock or from the REAL database.
The finest compounds from 2.6 Million stock and all three collections – HTS, Advanced and Premium were distilled and filtered (MedChem filters, PAINS), maintaining the highest level of diversity. The library was enriched with 2K subset out-of-Ro5 for even greater diversification benefit. Clustering was performed allowing dissimilarity distance cut off 0.4 between cluster centroids and maximum similarity between compounds within one cluster (min 75% similarity).
The resulting 500K diversity set was examined using Tanimoto similarity method and compared to 16.8 Million commercially available screening compounds from 33 vendors; the obtained results suggest that 70% of the compounds from HLL-2018 are not available anywhere but at Enamine.
In this new edition of HLL the clusters have become denser with at least 5 very close analogues each. Modular structure of the library allows fast prioritization of the hit series, whereas search of analogues from 2.5 Million compounds in stock and 225,000 building blocks collection for fast analogues synthesis facilitate efficient hit expansion and follow-up.