⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL416977 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL1456091 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL1456096 | 0.78 | — | — | |
| SCHEMBL7900334 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL3119209 | 0.78 | — | — | |
| SCHEMBL14720962 | 0.74 | — | — | |
| SCHEMBL18677781 | 0.73 | — | — | |
| SCHEMBL3311013 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL24955577 | 0.70 | KDM4E (0.36) | — | |
| SCHEMBL5565339 | 0.70 | ACHE (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100113436-A1 | DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2010-05-06 | — | — | US | disclosed |