Compounds that are consistently inactive in many screening assays, so-called dark chemical matter (DCM), have recently experienced increasing attention. One of the reasons is that many DCM compounds may not be fully inert biologically, but may provide interesting leads for obtaining compounds that are highly selective or active against unusual targets. In this study, we have systematically identified DCM among extensively assayed screening compounds and searched for analogs of these compounds that have known bioactivities. Analog series containing DCM and known bioactive compounds were generated on a large scale, making it possible to derive target hypotheses for more than 8000 extensively assayed DCM molecules.

中文翻译：

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公共筛选测定中的暗化学物质和目标假设的推导

在许多筛选测定中一直无活性的化合物，即所谓的暗化学物质（DCM），最近受到了越来越多的关注。原因之一是许多DCM化合物在生物学上可能不是完全惰性的，但可能为获得对非常规目标具有高度选择性或活性的化合物提供有趣的线索。在这项研究中，我们已经在广泛分析的筛选化合物中系统地鉴定了DCM，并搜索了具有已知生物活性的这些化合物的类似物。包含DCM和已知生物活性化合物的类似物系列已大量产生，从而有可能推导8000多种经过广泛分析的DCM分子的目标假设。