DeepMedChem
ChatGPT pluginMolecular similarity search
Search public make-on-demand chemical spaces, such as Enamine REAL, for purchasable molecules similar to a structure you supply as SMILES. Choose fingerprint (Morgan/Tanimoto), 3D shape or electrostatic (ESP) similarity. Results appear as an interactive structure grid with scores, list prices and a CSV export. Searches run one SMILES against one database and return up to 20 hits. Guest access needs no account. Scores describe structural similarity, not biological activity or safety, and results are a bounded shortlist rather than every match.
- Featured
- No
not on the featured shelf
Movement
From our daily snapshots over the last 30 days.
Rank by placement
Rank in Education & research
In its category
How this plugin compares with others in the same category. Positions are counted within the category, not across the whole directory.
Education & research575th of 829 by placement
| # | Plugin | Position | 7d |
|---|---|---|---|
| 573 | #8135 | 1,247places up | |
| 574 | #8136 | 1,241places up | |
| 575 | #8137 | 810places up | |
| 576 | #8147 | 1,225places up | |
| 577 | #8149 | 1,231places up |
Example prompts
- “Find 20 molecules similar to aspirin, SMILES CC(=O)Oc1ccccc1C(=O)O, in Enamine REAL.”
- “Search Enamine REAL for shape-similar analogues of c1ccc(CCNc2ncnc3ccccc23)cc1.”
- “Which chemical space databases can I search?”
Skills
chemical-space-search
Search public DeepMedChem chemical spaces for molecules similar to a supplied structure, and explain the scope of the results.
- Categories
- Made by
- Deep MedChem · Website
- Sign-in
- On Install
- Capabilities
- Read
- Availability
- Available
- Version
- 0.1.1
- Keywords
- chemistry, cheminformatics, molecules, similarity search, drug discovery
- Created
- October 14, 2026
- More info
- Sponsorship
- Promote this plugin