⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1720385 | 0.79 | CYP1A2 (0.39) | — | |
| SCHEMBL1720393 | 0.79 | — | — | |
| SCHEMBL2000125 | 0.79 | — | — | |
| SCHEMBL22566437 | 0.79 | — | — | |
| SCHEMBL15605765 | 0.76 | MAOA (0.40) | — | |
| SCHEMBL16504352 | 0.76 | CASP2 (0.44) | — | |
| SCHEMBL18045577 | 0.76 | MAOA (0.40) | — | |
| Hydrochloric Acid SCHEMBL9771596 | 0.73 | KDM4E (0.44) | — | |
| SCHEMBL3207850 | 0.73 | — | — | |
| SCHEMBL8768540 | 0.73 | — | — |
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 |