⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1227977 | 0.92 | — | — | |
| SCHEMBL7765485 | 0.90 | USP2 (0.32) | — | |
| SCHEMBL16105549 | 0.90 | USP2 (0.32) | — | |
| SCHEMBL1628222 | 0.83 | — | — | |
| SCHEMBL3702365 | 0.78 | — | — | |
| SCHEMBL269512 | 0.78 | — | — | |
| SCHEMBL23924567 | 0.76 | LMNA (0.46) | — | |
| SCHEMBL9368619 | 0.76 | — | — | |
| SCHEMBL746872 | 0.76 | — | — | |
| SCHEMBL270381 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8623888-B2 | 3-oxy-hydromorphone derivatives | MALLINCKRODT LLC (US) | 2014-01-07 | — | — | US | claimed |
| US-20110015398-A1 | 3-Oxy-Hydromorphone Derivatives | MALLINCKRODT INC. (US) | 2011-01-20 | — | — | US | claimed |
| WO-2011008636-A1 | 3-OXY-HYDROMORPHONE DERIVATIVES | MALLINCKRODT INC. (US) | 2011-01-20 | — | — | WO | claimed |
| US-8623888-B2 | 3-oxy-hydromorphone derivatives | MALLINCKRODT LLC (US) | 2014-01-07 | — | — | US | disclosed |
| US-20110015398-A1 | 3-Oxy-Hydromorphone Derivatives | MALLINCKRODT INC. (US) | 2011-01-20 | — | — | US | disclosed |
| WO-2011008636-A1 | 3-OXY-HYDROMORPHONE DERIVATIVES | MALLINCKRODT INC. (US) | 2011-01-20 | — | — | WO | disclosed |
| US-20030108955-A1 | Dioxin derivatives and method of measurement therewith | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2003-06-12 | — | — | US | disclosed |
| EP-1256579-A1 | DIOXIN DERIVATIVES AND METHOD OF MEASUREMENT THEREWITH | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-13 | — | — | EP | disclosed |