Cortexa research tool·structure·ChEMBL

ChEMBL Search Substructure

Search molecules by substructure using SMILES. Returns molecules containing the specified substructure.

Livelast probed 2026-04-30 23:07Z· 571msCortexa

Status

The most recent probe succeeded. Safe to call from the agent today.

Last probed: 1d ago
Last success: 1d ago
Last latency: 571ms

Schema

JSON Schema the agent (or your API call) must match.

{
  "properties": {
    "limit": {
      "default": 20,
      "description": "Maximum number of results (default: 20, max: 1000)",
      "maximum": 1000,
      "type": "integer"
    },
    "offset": {
      "default": 0,
      "description": "Offset for pagination (default: 0)",
      "type": "integer"
    },
    "smiles": {
      "description": "SMILES string representing the substructure to search for",
      "type": "string"
    }
  },
  "required": [
    "smiles"
  ],
  "type": "object"
}

Examples (1)

Default ChEMBL Search Substructure call

public-safeinput

{
  "limit": 3,
  "offset": 1,
  "smiles": "CC(=O)Oc1ccccc1C(=O)O"
}

Expected response keys: success

Anonymous-safe example. Rate-limited; no sign-in required.

Identifiers

Catalog ID: tu_ChEMBL_search_substructure
Tool name: ChEMBL_search_substructure
Added: 2026-04-30 22:47Z
Tags: tooluniverse

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