Draw or import a molecule

shows 10 most similar compounds

Or type smiles here:
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Show entries
choose the number of entries outputted on a single page

resulted data in the table can be copied to a clipboard or exported as a CSV/Excel file

Searching similar structures

You can draw or import a molecule in chemical composer and search for similar structures in huskinDB. The similarity is calculated using RDKit and ten most similar compounds are shown. Tanimoto similarity is calculated for this purpose

open a panel with ring structures

change atom type

load a file with a molecule

The higher the similarity value, the more similar is the defined compound to a compound in huskinDB. Maximum achievable similarity is 1

For example, if a benzol ring is given as a search molecule, benzene with a similarity of 1 is outputted in the table on the first place. The next most similar compound is phenol with a similarity of 0.31, the tenth most similar compound is ephedrine with a similarity of 0.214

Please check your molecule if no data is returned. There might be an error in the structure


All huskinDB compounds are plotted with logkp value on the x- and molecular weight on the y-axis. Data points that represent similar compounds are highlighted.