⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2525531 | 1.00 | — | — | |
| SCHEMBL2525528 | 1.00 | — | — | |
| SCHEMBL28890358 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL27965634 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL13778774 | 0.72 | MAPT (0.30) | — | |
| SCHEMBL20865493 | 0.71 | — | — | |
| SCHEMBL22792883 | 0.71 | — | — | |
| SCHEMBL22222387 | 0.71 | — | — | |
| SCHEMBL20048168 | 0.71 | — | — | |
| SCHEMBL23702708 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016128905-A1 | THIENOPYRROLE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-08-18 | — | — | WO | disclosed |
| US-20140371223-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | ADDEX PHARMA S.A. (CH) | 2014-12-18 | — | — | US | disclosed |
| US-8779129-B2 | Triazinedione derivatives as GABAB receptor modulators | ADDEX PHARMA S.A. (CH) | 2014-07-15 | — | — | US | disclosed |
| US-20130123262-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | ADDEX PHARMA S.A. (CH) | 2013-05-16 | — | — | US | disclosed |