Chemaxon LLC

Chemaxon LLC, a Massachusetts-based cheminformatics software vendor, operates as a prime contractor delivering specialized chemistry and molecular informatics software licenses and maintenance support to federal research and regulatory agencies, competing on a full-and-open basis with no set-aside designations. The company is a for-profit limited liability corporation headquartered in Lynnfield, Massachusetts, with a core product portfolio centered on JChem Oracle Cartridge, Marvin JS, Instant JChem Enterprise, and related chemistry software tools that enable advanced molecular structure management, chemical data analysis, and drug discovery workflows across federal laboratories and research programs.

Chemaxon's federal customer base concentrates within civilian scientific research and regulatory agencies. The top five customers by award count and potential value account for 82% to 93% of recent awards, respectively, led by the Environmental Protection Agency's Office of Research and Development (13 awards, $291 thousand combined potential value) and the National Institute on Drug Abuse (11 awards, $335 thousand combined potential value). However, the rankings diverge significantly on dollar concentration: the US Patent and Trademark Office anchors the top position by potential value with a single $867 thousand award for cheminformatics software and maintenance support, while EPA's Office of Chemical Safety and Pollution Prevention, NINDS, and NIDA follow at $393 thousand, $391 thousand, and $335 thousand respectively. This pattern reflects Chemaxon's recurring role as a proprietary-software sole-source vendor on non-competitive awards, with contract values typically ranging from $10 thousand to $867 thousand per award. Representative recent work includes a $867 thousand purchase order from the US Patent and Trademark Office for cheminformatics software and ongoing maintenance through August 2028, a $367 thousand award from the National Institute of Neurological Disorders and Stroke for chemistry software supporting the Preclinical Screening Platform for Pain and Epilepsy Therapy Screening Program through September 2029, and annual license renewals with the National Institute on Drug Abuse totaling $56 thousand for JChem Oracle Cartridge and Marvin JS software supporting the AIMS (ATDP Information Management System) through June 2027.

Activity has remained relatively flat over the past five years—two to three awards per year from 2022 through 2025, with a single award in 2026—against a combined potential value of $2.5 million and $1.9 million obligated across a 39-award portfolio spanning 12 distinct agencies. Four awards, carrying $1 million in combined potential value, reach ultimate completion within the next twenty-four months and face recompete risk. Chemaxon operates as a prime on 97% of awards; its single subcontractor engagement is a two-year JChem and Marvin JS software-access subcontract under Battelle Memorial Institute supporting the Army's Combat Capabilities Development Command Chemical Biological Center for chemical threat analysis. The vendor holds a position on the Information Analysis Center Multiple-Award Contract but places minimal task-order volume through that vehicle. Across both NIH institutes, EPA offices, and USPTO, Chemaxon competes exclusively on merit without set-aside protection, positioning it as a specialized-capability vendor rather than a volume player in federal IT procurement.