⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8092059 | 0.99 | — | — | |
| SCHEMBL8562497 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL8078955 | 0.90 | — | — | |
| SCHEMBL8563861 | 0.89 | GRIA1 (0.61) | — | |
| Bromide SCHEMBL8090257 | 0.88 | GRIA1 (0.60) | — | |
| SCHEMBL8566770 | 0.86 | — | — | |
| Bromide SCHEMBL8091963 | 0.85 | — | — | |
| SCHEMBL8570641 | 0.85 | GRIN1 (0.51) | — | |
| SCHEMBL8566608 | 0.84 | GRIN1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL8087170 | 0.84 | GRIN1 (0.50) | — |
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 2 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 |