⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15732210 | 0.87 | OPRM1 (0.39) | — | |
| SCHEMBL15732236 | 0.82 | — | — | |
| SCHEMBL15732207 | 0.82 | OPRK1 (0.39) | — | |
| SCHEMBL15732237 | 0.73 | OPRM1 (0.38) | — | |
| SCHEMBL15732211 | 0.71 | OPRM1 (0.39) | — | |
| SCHEMBL15732178 | 0.69 | OPRM1 (0.38) | — | |
| SCHEMBL16747749 | 0.69 | OPRK1 (0.53) | — | |
| SCHEMBL14996104 | 0.69 | OPRK1 (0.53) | — | |
| SCHEMBL15214352 | 0.69 | OPRK1 (0.53) | — | |
| SCHEMBL12378207 | 0.68 | OPRM1 (0.59) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8853232-B2 | Peripheral opioid receptor antagonists and uses thereof | WYETH LLC (US) | 2014-10-07 | — | — | US | disclosed |
| US-20140142132-A1 | PERIPHERAL OPIOID RECEPTOR ANTAGONISTS AND USES THEREOF | WYETH, LLC (US) | 2014-05-22 | — | — | US | disclosed |