⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13629004 | 0.73 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL21711289 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL21711302 | 0.67 | LMNA (0.36) | — | |
| SCHEMBL25280775 | 0.67 | — | — | |
| SCHEMBL21711299 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL21711286 | 0.64 | MAPK14 (0.40) | — | |
| SCHEMBL21675343 | 0.64 | ALDH1A1 (0.34) | — | |
| SCHEMBL22847418 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL8525654 | 0.59 | — | — | |
| SCHEMBL557254 | 0.59 | — | — |
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-3290035-A1 | PROCASPASE COMBINATION THERAPY FOR TREATING CANCER | The Board of Trustees of the University of Illinois (US) | 2018-03-07 | — | — | EP | disclosed |