⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8223914 | 0.77 | — | — | |
| SCHEMBL4031771 | 0.77 | — | — | |
| SCHEMBL25152635 | 0.72 | — | — | |
| SCHEMBL13186627 | 0.72 | — | — | |
| SCHEMBL25151915 | 0.72 | — | — | |
| SCHEMBL10184354 | 0.69 | — | — | |
| SCHEMBL25845723 | 0.64 | — | — | |
| SCHEMBL21360180 | 0.64 | — | — | |
| SCHEMBL172959 | 0.62 | — | — | |
| SCHEMBL8224299 | 0.61 | — | — |
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-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |