⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3985828 | 0.75 | — | — | |
| SCHEMBL460532 | 0.75 | — | — | |
| SCHEMBL28590503 | 0.75 | — | — | |
| SCHEMBL1313555 | 0.73 | — | — | |
| SCHEMBL14891302 | 0.71 | — | — | |
| SCHEMBL733884 | 0.71 | — | — | |
| SCHEMBL3624767 | 0.71 | — | — | |
| SCHEMBL17676146 | 0.71 | — | — | |
| SCHEMBL21306790 | 0.71 | — | — | |
| SCHEMBL29072125 | 0.71 | ALDH1A1 (0.30) | — |
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 5 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-RE46365-E1 | 6,7-unsaturated-7-carbamoyl substituted morphinan derivative | SHIONOGI & CO., LTD. (JP) | 2017-04-11 | — | — | 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 |
| US-20120135978-A1 | 6,7-UNSATURATED-7-CARBAMOYL SUBSTITUTED MORPHINAN DERIVATIVE | SHIONOGI & CO., LTD. | 2012-05-31 | — | — | US | disclosed |