Chemical Structure Search

Use this chemical structure search tool to search our chemical database for an exact or substructure match on your molecule of interest. Simply draw a structure fragment or structure in the JME Molecular Editor and click the «Substructure Search» or «Exact Search» button.

You have to enable JavaScript in your browser to use JSME!

Total Hits: Attention! Increasing the total hits will cause slower search times.


Substructure Search Exact Search

How to use structure search?

First steps:
Click the chemical template of your choice and click in the drawing. The selected structure appears.
Complexe structures:
To attach another template select a carbon structure from the main menu. Click on the atom in the drawing where you want to attach it.
Changing bonds:
In the main menu, select the bond of your choice. Click the bond on the drawing you want to change.
Changing atoms:
To change an atom, click in the left menu the selected atom. Click on the atom in the drawing you want to change. To draw a non standard atom, click on X in the left menu. A window will open. Enter the atom of your choice.

Block substituents

You can block substituents at a particular position by drawing explicit hydrogen atoms. You must add a bond and then add a hydrogen using the X atom function (symbol H). Click on the 'X', a window will open. In this window you can also enter other atoms i.e. Si, Na, Se, etc.

JME Editor courtesy of Peter Ertl, Novartis.