⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14113490 | 0.89 | — | — | |
| SCHEMBL17635913 | 0.81 | — | — | |
| SCHEMBL5517717 | 0.80 | LMNA (0.50) | — | |
| SCHEMBL5520896 | 0.80 | LMNA (0.50) | — | |
| SCHEMBL5517682 | 0.80 | LMNA (0.50) | — | |
| SCHEMBL6156913 | 0.79 | — | — | |
| SCHEMBL6240929 | 0.75 | LMNA (0.40) | — | |
| SCHEMBL13791847 | 0.75 | — | — | |
| SCHEMBL5973482 | 0.73 | — | — | |
| SCHEMBL221028 | 0.73 | MAPK1 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2433654-A2 | Citrulline and homocitrulline prodrugs of amphetamines and processes for making and using the same | Kempharm, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-2433655-A2 | Homoarginine-prodrugs of amphetamine | Kempharm, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| US-20100292336-A1 | Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-11-18 | — | — | US | disclosed |
| US-20100292337-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SHIRE LLC | 2010-11-18 | — | — | US | disclosed |
| US-20100292337-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SHIRE LLC | 2010-11-18 | — | — | US | disclosed |
| US-20100292336-A1 | Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-11-18 | — | — | US | disclosed |
| US-7772222-B2 | Polar hydrophilic prodrugs of amphetamine and other stimulants and processes for making and using the same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-10 | — | — | US | disclosed |
| US-20090239949-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SHIRE LLC | 2009-09-24 | — | — | US | disclosed |
| US-20080207757-A1 | Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-08-28 | — | — | US | disclosed |