In this paper, within the framework of relativistic quantum mechanics and using the improved approximation scheme to the centrifugal term for any [Formula: see text]states via Bopp’s shift method and standard perturbation theory, we have obtained the modified energy eigenvalues of a newly proposed modified unequal vector and scalar Hellmann plus modified Kratzer potentials (DUVSHMK-Ps) for some diatomic N2, I2, CO, NO, O2 and HCl molecules. This study includes corrections of the first-order in noncommutativity parameters [Formula: see text]. This potential is a superposition of the attractive Coulomb Yukawa potential plus the Kratzer potential and new central terms appear as a result of the effects of noncommutativity properties of space–space. The obtained energy eigenvalues appear as a function of noncommutativity parameters, the strength parameters [Formula: see text] and [Formula: see text] of the (scalar vector) Hellmann potential, the screening range parameter [Formula: see text], the dissociation energy of the vector, and scalar potential [Formula: see text], the equilibrium inter-nuclear distance [Formula: see text] in addition to the atomic quantum numbers [Formula: see text]. Furthermore, we obtained the corresponding modified energy of DUVSHMK-Ps in the symmetries of non-relativistic noncommutative quantum mechanics (NRNCQM). In both relativistic and non-relativistic problems, we show that the corrections on the spectrum energy are smaller than the main energy in the ordinary cases of RQM and NRQM.