{output}: Similarity search

API: nih.gov:pubchem-api
Endpoint: /pug/compound/fastsimilarity/smiles/{smiles}/cids/{output}
Response format: unknown
Auth: unknown
Method: GET
Last Status: 400
Latency: 396ms

Description

Search for compounds with similar structure to the given SMILES, using Tanimoto similarity.

Parameters (4)

MaxRecords (integer, query, optional)

Maximum number of results to return

Threshold (integer, query, optional)

Tanimoto similarity threshold (0-100)

Constraints: {'minimum': 0, 'maximum': 100}

output (string, path, required)

Output format

Constraints: {'enum': ['JSON', 'XML']}

smiles (string, path, required)

SMILES of the query compound

Examples (1)

Similarity search openapi-spec
curl 'https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsimilarity/smiles/CC(=O)Oc1ccccc1C(=O)O/cids/JSON?Threshold=90&MaxRecords=10'
import requests

resp = requests.get(
    "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsimilarity/smiles/CC(=O)Oc1ccccc1C(=O)O/cids/JSON",
    params={
        'Threshold': '90',
        'MaxRecords': '10',
    },
)
data = resp.json()
import zingu_apis

api = zingu_apis.api("pubchem")
result = api.fetch("pug/compound/fastsimilarity/smiles/{smiles}/cids/{output}", Threshold=90, MaxRecords=10)

for item in result:
    print(item)
const resp = await fetch("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsimilarity/smiles/CC(=O)Oc1ccccc1C(=O)O/cids/JSON?Threshold=90&MaxRecords=10");
const data = await resp.json();

Probe History

Latency

Status Codes

TimeStatusLatencySize
2026-04-16 17:02:04.702755 400 396ms
2026-04-16 04:01:44.760707 400 383ms
2026-04-15 01:39:25.196716 400 404ms
2026-04-14 01:54:09.570241 400 510ms
2026-04-12 16:07:52.670767 400 385ms
2026-04-10 00:12:50.333632 400 403ms
2026-04-09 01:26:21.799341 400 470ms