⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31745422 | 0.79 | — | — | |
| SCHEMBL8306118 | 0.78 | — | — | |
| SCHEMBL13653760 | 0.78 | — | — | |
| SCHEMBL294078 | 0.77 | — | — | |
| SCHEMBL294077 | 0.77 | — | — | |
| SCHEMBL19072532 | 0.76 | TRPA1 (0.33) | — | |
| SCHEMBL2362118 | 0.76 | — | — | |
| SCHEMBL1071600 | 0.76 | — | — | |
| SCHEMBL12337475 | 0.76 | — | — | |
| SCHEMBL15185011 | 0.75 | TDP1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022080346-A1 | NOVEL NITROGEN-CONTAINING CYCLIC COMPOUND AND APPLICATION THEREOF | 国立大学法人佐賀大学 | 2022-04-21 | — | — | WO | disclosed |
| EP-1478364-B1 | SELECTIVE ANTIBACTERIAL AGENTS | QUONOVA LLC (US) | 2009-09-16 | — | — | EP | disclosed |