⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2934187 | 0.83 | CHRNB2 (0.32) | — | |
| SCHEMBL17610286 | 0.83 | CHRNB2 (0.32) | — | |
| SCHEMBL17610283 | 0.83 | CHRNB2 (0.32) | — | |
| SCHEMBL2934195 | 0.83 | CHRNB2 (0.32) | — | |
| SCHEMBL2934192 | 0.83 | CHRNB2 (0.32) | — | |
| SCHEMBL19617268 | 0.77 | GABRR1 (0.32) | — | |
| SCHEMBL19617872 | 0.77 | GABRR1 (0.32) | — | |
| SCHEMBL4243520 | 0.77 | GABRR1 (0.32) | — | |
| SCHEMBL4243523 | 0.77 | GABRR1 (0.32) | — | |
| SCHEMBL19617869 | 0.77 | GABRR1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2414340-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-20120029190-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2012-02-02 | — | — | US | disclosed |
| WO-2010114971-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SEPRACOR INC. (US) | 2010-10-07 | — | — | WO | disclosed |