⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8570362 | 0.99 | — | — | |
| SCHEMBL8630940 | 0.99 | — | — | |
| Bromide SCHEMBL8571702 | 0.99 | — | — | |
| Bromide SCHEMBL8085991 | 0.97 | — | — | |
| Bromide SCHEMBL8092021 | 0.97 | — | — | |
| SCHEMBL8565720 | 0.97 | — | — | |
| Bromide SCHEMBL8090535 | 0.96 | — | — | |
| Phosphonic Acid SCHEMBL6650581 | 0.94 | GRIN1 (0.47) | — | |
| Phosphonic Acid SCHEMBL6652281 | 0.93 | — | — | |
| SCHEMBL8570833 | 0.90 | GRIN1 (0.47) | — |
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 |