⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8054153 | 0.90 | NAAA (0.34) | — | |
| SCHEMBL13086720 | 0.86 | GAA (0.38) | — | |
| SCHEMBL3051796 | 0.86 | — | — | |
| SCHEMBL7936712 | 0.84 | MAPT (0.37) | — | |
| SCHEMBL8052240 | 0.84 | SLC18A2 (0.32) | — | |
| SCHEMBL3058283 | 0.82 | — | — | |
| SCHEMBL8050332 | 0.81 | CYP2C19 (0.32) | — | |
| SCHEMBL3057229 | 0.81 | SLC18A2 (0.30) | — | |
| SCHEMBL8057189 | 0.78 | DGKA (0.36) | — | |
| SCHEMBL8052046 | 0.77 | ALDH1A1 (0.34) | — |
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-0995740-A1 | NOVEL NITROXYL COMPOUNDS AND DRUGS AND REAGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) | 2000-04-26 | — | — | EP | disclosed |