⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29226646 | 0.82 | — | — | |
| SCHEMBL18285482 | 0.72 | NCF1 (0.33) | — | |
| SCHEMBL29226645 | 0.71 | — | — | |
| SCHEMBL30980356 | 0.71 | — | — | |
| SCHEMBL25025564 | 0.68 | KDM1A (0.33) | — | |
| SCHEMBL3271093 | 0.67 | ADH1A (0.32) | — | |
| SCHEMBL4471405 | 0.67 | CYP2D6 (0.38) | — | |
| SCHEMBL3276795 | 0.65 | ADH1A (0.36) | — | |
| SCHEMBL10012993 | 0.63 | — | — | |
| SCHEMBL28968115 | 0.63 | GPR119 (0.36) | — |
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-118119595-A | Compounds and compositions for the treatment of diseases associated with STING activity | 艾福姆德尤股份有限公司 | 2024-05-31 | — | — | CN | disclosed |