SureChEMBL MCP Server

MIT License

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search_similar_structures

Identify structurally similar chemicals in SureChEMBL by inputting a reference chemical ID and adjusting similarity thresholds. Retrieve relevant results for research or analysis.

Instructions

Find structurally similar chemicals using similarity search

Input Schema

Name	Required	Description
`limit`	No	Number of results to return (1-100, default: 25)
`reference_id`	Yes	Reference chemical ID for similarity search
`threshold`	No	Similarity threshold (0.0-1.0, default: 0.7)

Input Schema (JSON Schema)

{
  "properties": {
    "limit": {
      "description": "Number of results to return (1-100, default: 25)",
      "maximum": 100,
      "minimum": 1,
      "type": "number"
    },
    "reference_id": {
      "description": "Reference chemical ID for similarity search",
      "type": "string"
    },
    "threshold": {
      "description": "Similarity threshold (0.0-1.0, default: 0.7)",
      "maximum": 1,
      "minimum": 0,
      "type": "number"
    }
  },
  "required": [
    "reference_id"
  ],
  "type": "object"
}

Install Server

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