⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28830337 | 0.77 | CCR2 (0.37) | — | |
| SCHEMBL28657034 | 0.77 | CTSS (0.32) | — | |
| SCHEMBL29214281 | 0.77 | CTSS (0.32) | — | |
| SCHEMBL29015446 | 0.77 | — | — | |
| SCHEMBL24235351 | 0.74 | — | — | |
| SCHEMBL21772497 | 0.72 | — | — | |
| SCHEMBL21772495 | 0.72 | — | — | |
| SCHEMBL19586709 | 0.72 | — | — | |
| SCHEMBL15598678 | 0.69 | — | — | |
| SCHEMBL19605956 | 0.68 | CTSK (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116096714-A | Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections | 安力高医药股份有限公司 | 2023-05-09 | — | — | CN | disclosed |