⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3075221 | 0.83 | — | — | |
| SCHEMBL6675628 | 0.83 | KDM5B (0.38) | — | |
| SCHEMBL28777115 | 0.69 | KDM5B (0.33) | — | |
| SCHEMBL17841693 | 0.69 | CRBN (0.43) | — | |
| SCHEMBL3075219 | 0.67 | — | — | |
| SCHEMBL29978 | 0.67 | — | — | |
| SCHEMBL10918683 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL6966457 | 0.65 | — | — | |
| SCHEMBL8276822 | 0.65 | — | — | |
| SCHEMBL857557 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008094909-A2 | QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS | XENON PHARMACEUTICALS INC. (CA) | 2008-08-07 | — | — | WO | disclosed |