Accelerating the construction of the innovation chain of leading enterprises is an important theoretical and practical issue in the development of Chinese science and technology. However, at present, there is a lack of in-depth research on the pattern of the innovation chain of leading enterprises. This paper focuses on two important situational factors, product type and technological innovation path, and selects four Chinese leading enterprises in different contexts as case enterprises. Through a multi-case comparative analysis of the innovation chain construction process of the case enterprises in the R&D of their key products, this paper explores the pattern of innovation chain of the leading enterprises and its matching with the innovation contexts. The results show that the product type and technological innovation path have an important impact on the structure and operation characteristics of the innovation chain of leading enterprises. By scanning the construction and operation process of the innovation chain of the case enterprises in the data, the characteristics of the innovation chain of the leading enterprises under different scenarios are summarized from the perspective of the structure and operation of the innovation chain, and four patterns of the innovation chain of the leading enterprises are extracted, which are: "symbiotic openness", "linear openness", "symbiotic aggregation" and "linear aggregation". Finally, pattern matching technology is used to construct the correlation between context factors and the innovation chain patterns of leading enterprises. The research conclusions can provide theoretical guidance for leading enterprises in different industries to effectively deploy innovation chain according to their situations, and provide effective reference for the government to formulate relevant policies of innovation chain.