⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29700536 | 1.00 | — | — | |
| SCHEMBL866414 | 0.85 | SLC7A5 (0.36) | — | |
| SCHEMBL17222464 | 0.85 | SLC7A5 (0.36) | — | |
| SCHEMBL6536106 | 0.85 | SLC7A5 (0.36) | — | |
| SCHEMBL2027762 | 0.85 | SLC7A5 (0.36) | — | |
| SCHEMBL709252 | 0.85 | SLC7A5 (0.36) | — | |
| SCHEMBL28842007 | 0.80 | — | — | |
| SCHEMBL28911829 | 0.79 | SLC7A5 (0.46) | — | |
| SCHEMBL27483396 | 0.79 | — | — | |
| SCHEMBL756027 | 0.79 | SLC7A5 (0.46) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090192095-A1 | AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS | SHIRE LLC (US) | 2009-07-30 | — | — | US | claimed |
| WO-2009092073-A2 | AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS | SHIRE LLC (US) | 2009-07-23 | — | — | WO | claimed |
| US-20090186832-A1 | AMINO ACID PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF | SHIRE LLC (US) | 2009-07-23 | — | — | US | claimed |
| WO-2009092071-A2 | AMINO ACID AND PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF | SHIRE LLC (US) | 2009-07-23 | — | — | WO | claimed |
| US-20120270847-A1 | NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF | SHIRE LLC (US) | 2012-10-25 | — | — | US | disclosed |
| EP-2453900-A1 | NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | Shire LLC (US) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011007247-A1 | NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE LLC (US) | 2011-01-20 | — | — | WO | disclosed |
| US-20110015182-A1 | NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE LLC | 2011-01-20 | — | — | US | disclosed |
| US-20090192095-A1 | AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS | SHIRE LLC (US) | 2009-07-30 | — | — | US | disclosed |
| WO-2009092073-A2 | AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS | SHIRE LLC (US) | 2009-07-23 | — | — | WO | disclosed |