⚠ 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 | |
|---|---|---|---|---|
| Duroquinone SCHEMBL58325 | 0.58 | MAOA (0.38) | — | |
| SCHEMBL17581120 | 0.55 | — | — | |
| Duroquinone SCHEMBL11473070 | 0.55 | MAOA (0.36) | — | |
| SCHEMBL10486657 | 0.55 | MAOA (0.36) | — | |
| SCHEMBL13581861 | 0.55 | MAOA (0.36) | — | |
| SCHEMBL11615305 | 0.52 | — | — | |
| SCHEMBL18205013 | 0.52 | — | — | |
| SCHEMBL11218163 | 0.52 | ACHE (0.30) | — | |
| SCHEMBL9998974 | 0.51 | — | — | |
| SCHEMBL14097182 | 0.50 | — | — |
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-3088397-A1 | COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER | Canbas Co. Ltd. (JP) | 2016-11-02 | — | — | EP | disclosed |