⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1759830 | 1.00 | — | — | |
| SCHEMBL1760220 | 0.93 | SLC6A3 (0.36) | — | |
| SCHEMBL1760221 | 0.93 | SLC6A3 (0.36) | — | |
| SCHEMBL1759682 | 0.85 | — | — | |
| SCHEMBL1759636 | 0.85 | NPC1 (0.51) | — | |
| SCHEMBL1759634 | 0.85 | NPC1 (0.51) | — | |
| SCHEMBL1759686 | 0.85 | — | — | |
| SCHEMBL1760283 | 0.83 | — | — | |
| SCHEMBL1760285 | 0.83 | — | — | |
| SCHEMBL1760140 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2499121-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. | F. Hoffmann-La Roche AG (CH) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011057973-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-19 | — | — | WO | disclosed |