⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8085903 | 0.85 | GRIN1 (0.58) | — | |
| SCHEMBL8086995 | 0.84 | GRIN1 (0.63) | — | |
| SCHEMBL8078793 | 0.84 | GRIN1 (0.57) | — | |
| SCHEMBL8090283 | 0.83 | GRIN1 (0.56) | — | |
| SCHEMBL8500263 | 0.83 | GRIN1 (0.64) | — | |
| SCHEMBL8085953 | 0.83 | — | — | |
| SCHEMBL8085948 | 0.82 | — | — | |
| SCHEMBL5974334 | 0.82 | GRIN1 (0.66) | — | |
| SCHEMBL8087209 | 0.81 | — | — | |
| SCHEMBL8090422 | 0.81 | GRIN1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0853617-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | Novartis AG (CH) | 1998-07-22 | — | — | EP | claimed |
| WO-1997008155-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | NOVARTIS AG (CH) | 1997-03-06 | — | — | WO | claimed |
| US-6080743-A | AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS | NOVARTIS AG (CH) | 2000-06-27 | — | — | US | disclosed |
| EP-0853617-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | Novartis AG (CH) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997008155-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | NOVARTIS AG (CH) | 1997-03-06 | — | — | WO | disclosed |