checktest
Bluelighter
- Joined
- Jun 9, 2013
- Messages
- 338
Was looking through some of the cell best of reports (you have to put in some details but free)
Under best of chem 2018 there was an interesting article actually published in 2019.
Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways
Molga K
Dittwald P
Grzybowski B
Chem
2019 vol: 5 (2) pp: 460-473
"By keeping track of lists of specific bonds one wishes to preserve, a computer program is able to identify the key disconnections used in the patented syntheses and design synthetic routes that circumvent these approaches. Here, we provide examples of computer-designed syntheses relevant to medicinal chemistry, in which the machine avoids “strategic” disconnections common to industrial patents and is forced to use different starting materials. The ability of modern retrosynthetic planners to navigate around patented solutions may have significant implications for the ways in which intellectual property related to multistep syntheses is protected and/or challenged."
Merck bought Chematica (now synthia under Millapore Sigma subsid) a couple years back but the possibilities are interesting. I liked the use of panobinostat (Novartis, HDAC inhibitor from 2015 ), linezolid (Pfizer, new expensive antibiotic ), vs. Sitagliptin (Merck 2006 but expiring soon ?2022, high competition dpp4) in the paper. Generic manufacturers must be looking pretty closely.
How about the use in avoiding particular precursors or other problematic pathways? Interesting advancement of technology.
Retrosynthetic software will definitely be rising soon.
Edit: I should have changed the title to retrosynthetic software to reflect the emphasis on the technology rather than actual synthesis but yeah. Also the article thread
Under best of chem 2018 there was an interesting article actually published in 2019.
Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways
Molga K
Dittwald P
Grzybowski B
Chem
2019 vol: 5 (2) pp: 460-473
Redirecting
doi.org
"By keeping track of lists of specific bonds one wishes to preserve, a computer program is able to identify the key disconnections used in the patented syntheses and design synthetic routes that circumvent these approaches. Here, we provide examples of computer-designed syntheses relevant to medicinal chemistry, in which the machine avoids “strategic” disconnections common to industrial patents and is forced to use different starting materials. The ability of modern retrosynthetic planners to navigate around patented solutions may have significant implications for the ways in which intellectual property related to multistep syntheses is protected and/or challenged."
Merck bought Chematica (now synthia under Millapore Sigma subsid) a couple years back but the possibilities are interesting. I liked the use of panobinostat (Novartis, HDAC inhibitor from 2015 ), linezolid (Pfizer, new expensive antibiotic ), vs. Sitagliptin (Merck 2006 but expiring soon ?2022, high competition dpp4) in the paper. Generic manufacturers must be looking pretty closely.
How about the use in avoiding particular precursors or other problematic pathways? Interesting advancement of technology.
Retrosynthetic software will definitely be rising soon.
Edit: I should have changed the title to retrosynthetic software to reflect the emphasis on the technology rather than actual synthesis but yeah. Also the article thread
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