⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28430230 | 1.00 | — | — | |
| SCHEMBL29217302 | 0.81 | PLAU (0.32) | — | |
| SCHEMBL29217305 | 0.81 | PLAU (0.32) | — | |
| SCHEMBL395069 | 0.80 | POLB (0.34) | — | |
| SCHEMBL395068 | 0.80 | POLB (0.34) | — | |
| SCHEMBL410612 | 0.80 | POLB (0.34) | — | |
| SCHEMBL29539236 | 0.80 | POLB (0.34) | — | |
| SCHEMBL14842493 | 0.76 | — | — | |
| SCHEMBL3915013 | 0.76 | — | — | |
| SCHEMBL3915018 | 0.76 | — | — |
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-115666553-A | TLR2 modulator compounds, and pharmaceutical compositions and uses thereof | 轴向治疗公司 | 2023-01-31 | — | — | CN | disclosed |