⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8569858 | 0.78 | APEX1 (0.49) | — | |
| SCHEMBL16684240 | 0.73 | — | — | |
| Duroquinone SCHEMBL58325 | 0.64 | MAOA (0.38) | — | |
| SCHEMBL13581861 | 0.61 | MAOA (0.36) | — | |
| Duroquinone SCHEMBL11473070 | 0.61 | MAOA (0.36) | — | |
| Duroquinone SCHEMBL21767804 | 0.57 | ALDH1A1 (0.43) | — | |
| SCHEMBL19983586 | 0.57 | CTSD (0.38) | — | |
| SCHEMBL7287351 | 0.55 | DUSP3 (0.68) | — | |
| SCHEMBL10486657 | 0.54 | MAOA (0.36) | — | |
| SCHEMBL10609498 | 0.53 | DUSP3 (0.58) | — |
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-5789446-A | QUINONE DERIVATIVES OF ALKYLPROPENOIC ACID AS ANTIARTHRITIC AGENTS | EISAI CO., LTD. (JP) | 1998-08-04 | — | — | US | disclosed |