⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1031550 | 1.00 | — | — | |
| Ethylene Glycol SCHEMBL29219133 | 0.87 | LMNA (0.32) | — | |
| SCHEMBL587488 | 0.76 | — | — | |
| SCHEMBL28820919 | 0.76 | — | — | |
| SCHEMBL31345584 | 0.76 | — | — | |
| SCHEMBL28023621 | 0.76 | — | — | |
| SCHEMBL1029745 | 0.76 | — | — | |
| SCHEMBL20440144 | 0.76 | — | — | |
| SCHEMBL692716 | 0.75 | — | — | |
| Isobutyramide SCHEMBL3323 | 0.75 | — | — |
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-110582300-B | Tumor immunotherapeutic treatment method | 尼克塔治疗公司 | 2024-08-02 | — | — | CN | disclosed |