It published the odd allegations in an 8,000-word report on the incident after the Kremlin was accused of using a military grade nerve agent in Salisbury, on March 4.
Russian Federation strongly denies the UK's claims about Novichok, saying it destroyed its entire Soviet-era chemical weapons arsenal a year ago under worldwide oversight.
The report concluded: 'The situation around the Skripals looks more and more like a forcible detention or imprisonment'.
Russia had spied on ex-Russian spy Sergei Skripal and his daughter for at least five years before the poison attack that put them both in critical condition, the U.K.'s national security advisor said Friday.
Email accounts of Yulia had been targeted in 2013 by cyber specialists from Russia's GRU military intelligence service, Mark Sedwill said in a letter to NATO Secretary General Jens Stoltenberg on Friday.
He said only Russian Federation had the "technical means, operational experience and the motive" for the attack.
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He wrote: 'It is highly likely that Novichoks were developed to prevent detection by the West and to circumvent worldwide chemical weapons controls.
A program set up in Russian Federation in the 2000s trained personnel from special units in the use of chemical warfare agents, he said, including investigating how nerve agents could be administered through door handles.
Referring to the 2006 death of former KGB agent Alexander Litvinenko, Sedwill said Russian Federation had the operational means to carry out such an attack against Skripal.
Yulia Skripal, 33, has been released from the hospital.
He then claimed Russian Federation saw at least some of its defectors as legitimate targets for assassination, suggesting Skripal could be among them.
He said: "A combination of credible open-source reporting and intelligence shows that in the 1980s the Soviet Union developed a new class of "fourth generation" nerve agents, known as Novichoks".
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This is the second time that four civilians have been killed by security forces near encounter sites. They were removed to the hospital, where Sapper Sada Gunakara Rao succumbed to injuries.
Also Friday, Russian Foreign Minister Sergey Lavrov responded to an worldwide chemical weapons watchdog's report on the poisoning.
British Prime Minister Theresa May has said it is highly likely that Moscow was behind the attack although Moscow denies any involvement.
Such a highly classified documentation is rarely made public and was only released on Friday, after Russian Federation asked to see proofs of the allegations advanced by the UK. Her father remains in the hospital but British health officials say he is improving.
Russian Federation has charged that British officials are keeping Skripal's daughter in isolation.
Mr Lavrov said the report only confirmed the composition of the substance and that Britain's claim that it confirmed the United Kingdom position on the Skripal case was overstated. It demanded access to her and prodded Britain to share evidence in the case.
He briefed journalists on the latest development in Douma, a town in the suburbs of Damascus, where the alleged attack took place and where Russian military police has been deployed on Thursday. He said Moscow has "irrefutable information that it was a fabrication".
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Police officers guard the cordoned off area around the home of former Russian intelligence officer Sergei Skripal in Salisbury, Britain, April 3, 2018.