Global solution

CIRCE is a company focused on crystal engineering and computational chemistry, which provides global solutions to pharmaceutical companies concerning solid state problems, maximizing the value of their active pharmaceutical ingredients (API).

We accomplish this through a combined virtual/experimental holistic approach of polymorph, salt and cocrystal screenings, based on the use of the most advanced technologies and facilities together with exclusive and innovative computational prediction methodologies.

CIRCE’s predictive techniques highly reduce the large number of experimental tests needed in the long and expensive conventional screening methods, typically based on chemical intuition, and minimize the effects of serendipity. Furthermore it extraordinarily increases the possibilities of achieving new crystalline forms.

For instance, our cocrystal prediction technology allows to perform a virtual screening on more than 2500 pharmaceutical coformers – including well-known APIs that can be used as coformers – instead of the 30-40 usually employed in conventional screenings; on the other hand, our polymorph prediction system improves the actual ratio of success in reproducing the energy and the geometry of crystalline compounds, being so far the only technology capable to predict isoenergetic polymorphs, like in the case of aspirin, confirming the quality of our predictions.

 As a result of this unique ability to predict the most likely crystalline forms, besides our proven scientific know-how, we can carry out experimental screenings to find not just one, but most of the possible crystalline forms for a single API.

Therefore, in CIRCE we contribute to  maximize the value of the R&D projects of our partners, evaluating the possible alternatives from the predictions, the scope of the experimental screening to be performed and the IP strategy, providing:

  • The API crystalline form that presents the best physicochemical and pharmacological properties. We can chose the candidates with the best properties to hit the market from a wide variety of alternative structures such as polymorphs, salts or cocrystals.
  • An adequate IP defensive position based on a much extended and consequently stronger patent portfolio of the product. Since we can find – and protect – the most likely crystalline forms of the API, we difficult the competitor’s access to market through alternative polymorphs or cocrystals.
  • A higher return on investment while accessing the market with a stronger IP protection and the expertise to extend patents.

You can download our Virtual Cocrystal Screening technical file here.

You can download our Virtual Polymorph Screening technical file here.

You can download our Services technical file here.

For further information, please Contact with us.