⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3131753 | 0.88 | TRPA1 (0.31) | — | |
| SCHEMBL29114841 | 0.84 | — | — | |
| SCHEMBL22320249 | 0.83 | — | — | |
| SCHEMBL5325587 | 0.78 | — | — | |
| SCHEMBL1835299 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL2958469 | 0.71 | HSD11B1 (0.36) | — | |
| SCHEMBL29655375 | 0.70 | — | — | |
| SCHEMBL29205110 | 0.70 | HSD11B1 (0.31) | — | |
| SCHEMBL1200106 | 0.70 | — | — | |
| SCHEMBL22439852 | 0.69 | — | — |
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-109414048-B | Coated yeast formulation | 弗门尼舍有限公司 | 2023-09-01 | — | — | CN | disclosed |