⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5029010 | 0.81 | — | — | |
| SCHEMBL10034950 | 0.81 | — | — | |
| SCHEMBL371100 | 0.81 | — | — | |
| SCHEMBL3766400 | 0.79 | — | — | |
| SCHEMBL9442551 | 0.79 | — | — | |
| SCHEMBL5761970 | 0.79 | — | — | |
| SCHEMBL7270024 | 0.79 | — | — | |
| SCHEMBL5763409 | 0.79 | — | — | |
| SCHEMBL7274803 | 0.79 | — | — | |
| SCHEMBL5762547 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7291628-B2 | Treatment of cocaine abuse using N-substituted derivatives of morphinan | MCLEAN HOSPITAL CORPORATION (US) | 2007-11-06 | — | — | US | claimed |
| US-20050159440-A1 | N-substituted derivatives of morphinan and uses thereof | MCLEAN HOSPITAL CORPORATION | 2005-07-21 | — | — | US | claimed |
| US-6844438-B2 | N-substituted derivatives of morphinan and uses thereof | MCLEAN HOSPITAL CORPORATION (US) | 2005-01-18 | — | — | US | claimed |