⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL70048 | 0.83 | NFKB1 (0.57) | — | |
| Hydrochloric Acid SCHEMBL11595983 | 0.80 | NFKB1 (0.55) | — | |
| SCHEMBL28802807 | 0.80 | NFKB1 (0.55) | — | |
| SCHEMBL9750144 | 0.76 | KDM4E (0.63) | — | |
| SCHEMBL1197055 | 0.75 | GAA (0.56) | — | |
| SCHEMBL5173538 | 0.74 | — | — | |
| SCHEMBL20894303 | 0.73 | NFKB1 (0.43) | — | |
| SCHEMBL10848882 | 0.72 | — | — | |
| SCHEMBL20929042 | 0.72 | — | — | |
| SCHEMBL18886847 | 0.72 | — | — |
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 |