⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29015576 | 1.00 | — | — | |
| SCHEMBL30396010 | 0.84 | CA12 (0.31) | — | |
| SCHEMBL29062947 | 0.82 | NPC1 (0.35) | — | |
| SCHEMBL29063150 | 0.81 | CA1 (0.37) | — | |
| SCHEMBL19332567 | 0.81 | ERN1 (0.32) | — | |
| SCHEMBL19332569 | 0.81 | ERN1 (0.32) | — | |
| SCHEMBL19331303 | 0.80 | LMNA (0.40) | — | |
| SCHEMBL19331299 | 0.80 | LMNA (0.40) | — | |
| SCHEMBL19332370 | 0.78 | CES2 (0.33) | — | |
| SCHEMBL19332373 | 0.78 | CES2 (0.33) | — |
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 |