⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9880264 | 0.69 | — | — | |
| SCHEMBL9880261 | 0.66 | LMNA (0.31) | — | |
| SCHEMBL9880260 | 0.66 | KDM5B (0.31) | — | |
| SCHEMBL19193505 | 0.62 | HAVCR2 (0.32) | — | |
| SCHEMBL393240 | 0.62 | ALDH1A1 (0.62) | — | |
| SCHEMBL9880269 | 0.61 | NPSR1 (0.45) | — | |
| SCHEMBL9880251 | 0.60 | KDM4E (0.42) | — | |
| SCHEMBL9880263 | 0.57 | LMNA (0.35) | — | |
| SCHEMBL12611135 | 0.56 | LMNA (0.35) | — | |
| SCHEMBL22016202 | 0.56 | KDM5B (0.45) | — |
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-RE46375-E1 | 6,7-unsaturated-7-carbamoyl substituted morphinan derivative | SHIONOGI & CO., LTD. (JP) | 2017-04-25 | — | — | US | disclosed |
| US-8536192-B2 | 6,7-unsaturated-7-carbamoyl substituted morphinan derivative | SHIONOGI & CO. LTD. (JP) | 2013-09-17 | — | — | US | disclosed |
| US-20120135978-A1 | 6,7-UNSATURATED-7-CARBAMOYL SUBSTITUTED MORPHINAN DERIVATIVE | SHIONOGI & CO., LTD. | 2012-05-31 | — | — | US | disclosed |