⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4459635 | 0.71 | — | — | |
| SCHEMBL484336 | 0.71 | — | — | |
| SCHEMBL1766358 | 0.71 | — | — | |
| SCHEMBL9499226 | 0.67 | EPHX1 (0.48) | — | |
| SCHEMBL23601612 | 0.67 | CYP1A2 (0.39) | — | |
| SCHEMBL28941384 | 0.65 | — | — | |
| SCHEMBL30462983 | 0.63 | TSHR (0.46) | — | |
| SCHEMBL2000125 | 0.63 | — | — | |
| SCHEMBL5653739 | 0.63 | — | — | |
| SCHEMBL23140264 | 0.63 | — | — |
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-3815685-A2 | COMPOUND COMPRISING A MAO TARGETING/SEEKER MOIETY FOR TREATING HUMAN GLIOMAS | The Methodist Hospital Research Institute (US) | 2021-05-05 | — | — | EP | disclosed |