⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1759831 | 0.86 | — | — | |
| SCHEMBL1759828 | 0.86 | — | — | |
| SCHEMBL1760210 | 0.85 | — | — | |
| SCHEMBL1760213 | 0.85 | — | — | |
| SCHEMBL1760177 | 0.84 | — | — | |
| SCHEMBL1760175 | 0.84 | — | — | |
| SCHEMBL1759851 | 0.76 | — | — | |
| SCHEMBL1759848 | 0.76 | — | — | |
| SCHEMBL1759624 | 0.75 | — | — | |
| SCHEMBL1759622 | 0.75 | — | — |
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-2011057973-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-19 | — | — | WO | claimed |