⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10155592 | 0.76 | — | — | |
| SCHEMBL2755086 | 0.76 | — | — | |
| SCHEMBL9882952 | 0.69 | — | — | |
| SCHEMBL19043657 | 0.67 | — | — | |
| SCHEMBL19034530 | 0.65 | — | — | |
| SCHEMBL26137598 | 0.61 | — | — | |
| SCHEMBL26767608 | 0.61 | — | — | |
| SCHEMBL9450417 | 0.59 | — | — | |
| SCHEMBL10155595 | 0.59 | — | — | |
| SCHEMBL1795836 | 0.57 | — | — |
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 10 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-RE46365-E1 | 6,7-unsaturated-7-carbamoyl substituted morphinan derivative | SHIONOGI & CO., LTD. (JP) | 2017-04-11 | — | — | US | disclosed |
| US-9533982-B2 | Substituted bicyclic heteroaryl carboxamide analogs as mGluR5 negative allosteric modulators | VANDERBILT UNIVERSITY (US) | 2017-01-03 | — | — | US | disclosed |
| US-20150266866-A1 | Substituted Bicyclic Heteroaryl Carboxamide Analogs As Mglur5 Negative Allosteric Modulators | VANDERBILT UNIVERSITY | 2015-09-24 | — | — | 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-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-01-19 | — | — | US | disclosed |
| US-8084460-B2 | 6,7-unsaturated-7-carbamoyl substituted morphinan derivative | SHIONOGI & CO., LTD. (JP) | 2011-12-27 | — | — | US | disclosed |
| US-20090203723-A1 | 6,7-unsaturated-7-carbamoyl substituted morphinan derivative | SHIONOGI & CO., LTD. (JP) | 2009-08-13 | — | — | US | disclosed |