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Hit Locator Library

A sizable highly diverse screening set

Hit Locator Library (HLL) is a large diverse set of 234 240 novel screening compounds, designed to represent the entire Enamine’s screening collection.

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.

HTS at Enamine allows an immediate access the entire HLL with low-cost, access-only fee, including hit confirmation from fresh powders and broad possibilities for express hit expansion either from stock, or from REAL database.

Library design

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.

HLL-2018 consists of 2 sizeable sets:

  • Enhancement Set (ES, 276K compounds) - further supplementing CS clusters and enhancing library diversification, augmenting the number of compounds within the clusters to 10-15.
  • Premium Set (PS, 24K compounds) - consists of the compounds from Enamine Premium Collection to provide additional benefit in screening campaigns. PS compounds feature novel scaffolds with the most favourable physicochemical properties.

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.

Key features

  • Latest Enamine compounds
  • Represents the entire Enamine’s stock
  • Fast track to leads

Comparative analysis of HLL and commercially available compounds (16.8M, 33 vendors)

70% Compounds in HLL are available exclusively at Enamine

Examples of the molecules

Examples of compounds from two separate clusters: no singletons, no overlap between clusters, prompt initial SAR data

Molecular properties

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