⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21230200 | 1.00 | — | — | |
| SCHEMBL20082315 | 0.90 | — | — | |
| SCHEMBL21230133 | 0.87 | KDM4D (0.32) | — | |
| SCHEMBL18867271 | 0.85 | PIK3CA (0.30) | — | |
| SCHEMBL20082317 | 0.83 | — | — | |
| SCHEMBL19775368 | 0.83 | APP (0.31) | — | |
| SCHEMBL21230165 | 0.83 | APP (0.31) | — | |
| SCHEMBL19775367 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL21230196 | 0.81 | PDE3B (0.33) | — | |
| SCHEMBL21230210 | 0.81 | PDE3B (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3311813-B1 | THERAPEUTIC ISOXAZOLE COMPOUNDS | DART NEUROSCIENCE CAYMAN LTD (KY) | 2019-08-07 | — | — | EP | disclosed |