Gaithersburg, Md. — October 10, 2025 — Leads & Copy —Shuttle Pharmaceuticals Holdings, Inc. (Nasdaq: SHPH) has announced the execution of a non-binding letter of Intent with Molecule.ai to acquire Molecule.ai and its platform designed to transform how pharmaceutical and biotech companies discover and develop new therapeutics.
Molecule.ai, founded by AI scientist Dr. ZT Zhang, leverages advanced machine learning models, including LLMs, to deliver accuracy and efficiency in evaluating molecules. The platform enables researchers to shorten development timelines, reduce costs, and increase the likelihood of identifying successful therapeutic candidates.
Dr. Zhang stated that Molecule.ai is not just accelerating the process but fundamentally changing what’s possible in the search for new therapies.
The Molecule.ai platform features molecule property prediction and reasoning, drug-target interaction modeling, and Agentic AI Mode, an autonomous framework that enables AI agents to perform multi-step drug discovery workflows. Shuttle will acquire all rights and interests of Molecule.ai and assume all liabilities.
Shuttle will pay Molecule.ai a purchase price of $10 million, subject to the completion of milestones, in a combination of cash and common shares of Shuttle.
Molecule.ai focuses on revolutionizing drug discovery and development, applying machine learning models and LLMs to molecular evaluation, drug-target interaction modeling, and autonomous drug discovery workflows.
Shuttle Pharma focuses on improving outcomes for cancer patients treated with radiation therapy. The company aims to increase cancer cure rates, prolong patient survival, and improve quality of life.
Chris Cooper, CEO, info@shuttlepharma.com
Source: Shuttle Pharmaceuticals
