⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL70047 | 0.80 | NOTUM (0.65) | — | |
| SCHEMBL15758318 | 0.72 | NOTUM (0.56) | — | |
| SCHEMBL5176792 | 0.70 | — | — | |
| SCHEMBL151109 | 0.68 | — | — | |
| SCHEMBL5173884 | 0.68 | — | — | |
| SCHEMBL10222965 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL10551647 | 0.67 | NOTUM (0.50) | — | |
| SCHEMBL21751965 | 0.65 | NOTUM (0.54) | — | |
| Methoxymethane SCHEMBL9291880 | 0.64 | NOTUM (0.86) | — | |
| SCHEMBL10428536 | 0.64 | NOTUM (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008031888-A2 | CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS | CAMPIANI GIUSEPPE (IT) | 2008-03-20 | — | — | WO | claimed |
| WO-2008031888-A2 | CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS | CAMPIANI GIUSEPPE (IT) | 2008-03-20 | — | — | WO | disclosed |