Thursday, April 27, 2017

Ultimate Database Project

  Have you ever dreamt about the possibility to have access to the vast majority of molecules being relevant in the pharmaceutical industry?  Now it is finally becoming real. Mcule has introduced the idea of a super-sized chemical library and announced the start of the so-called ULTIMATE DATABASE PROJECT.

  Our aim is to create a database of 500 million compounds, which would include completely novel molecules predicted to be synthesizable but not yet synthesized. Compounds should meet the following standards to be considered in the Ultimate database: minimum of 80% success rate of synthesis, maximum of 6-week delivery time and fixed prices.

  A database of this size has yet to be made applicable for everyday use, and its integration with computational tools has always been a very challenging task due to the high demands of IT infrastructure to handle such a large size. However, using the online interface in our website one can easily access the full database, filter among the compounds, generate a quote, and complete the order. Thus, it has never been easier to identify more hits, eventually leading to reduced time and costs needed to be invested into the discovery of a new drug candidate.
By ourselves we wouldn’t be able to achieve our goals, therefore we seek supplier and custom molecular synthesis partners who would like to contribute to this great cause.

As for suppliers, our subscription form can be found here
For users, registration for an early access is available here.
Please see our website for more information, https://mcule.com/ultimate-project/.


  1. Hi Guys,

    zinc15.docking.org/tranches/home is now at 625M if you include hot chemistry, 611M if you do not. Thus "yet to be applicable" needs at least to be qualified. What is not applicable about ZINC?

  2. Hello John, thanks for the comment. ZINC is, in my opinion, a very useful resource for researchers looking for commercially available compounds. The goal of the Ultimate database project is to introduce a completely novel set of 500M purchasable compounds integrated with a full service including database, advanced compound selections, price quote generation, special formatting and door-to-door delivery.

  3. We're looking forward to your new libraries! We love new compounds that we can afford, particularly mwt<350, LogP<3.5, HAC<=25. We're even willing to stretch to mwt<400, logP<3.5, HAC<30 for difficult projects. A recent addition to ZINC is B-M scaffolds (zinc15.docking.org/scaffolds). We particularly prize new B-M scaffolds, although we also like molecules that are Tc 0.4 different from what's already in ZINC even with a precedented B-M scaffold. We would be happy to run your new library through ZINC and give you exposure and perhaps even some insight.