3D Similarity Search

1. Draw or Enter Your Query Molecule

The current set it is searching in is a combinatorial library of amides derived from 38K commercially available carboxylates and 26K commercially secondary amines. This library has about 1 billion members. This method is still experimental and subject to change and for demonstration purposes only.

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💡 Tip: Draw in the editor above or paste a SMILES string

2. 3D Aligned Structure

Your input molecule (green) aligned with the most similar molecule from the database (gray)

3. Top Similar Molecules

Most similar molecules ranked by ColorTanimoto