⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8086090 | 0.86 | — | — | |
| SCHEMBL8564717 | 0.80 | GRIN1 (0.46) | — | |
| SCHEMBL8078974 | 0.79 | — | — | |
| SCHEMBL8090312 | 0.79 | GRIN1 (0.44) | — | |
| SCHEMBL8078986 | 0.79 | KDM4E (0.51) | — | |
| SCHEMBL27464657 | 0.78 | HTR2A (0.37) | — | |
| SCHEMBL8086909 | 0.78 | — | — | |
| Bromide SCHEMBL8078981 | 0.78 | KDM4E (0.50) | — | |
| SCHEMBL8090237 | 0.77 | GRIN1 (0.46) | — | |
| SCHEMBL8090497 | 0.76 | — | — |
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-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 |