⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29355606 | 0.71 | — | — | |
| SCHEMBL29373986 | 0.71 | — | — | |
| SCHEMBL5712288 | 0.71 | — | — | |
| SCHEMBL8844861 | 0.50 | — | — | |
| SCHEMBL1517583 | 0.50 | — | — | |
| SCHEMBL8845049 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL561456 | 0.50 | — | — | |
| SCHEMBL724117 | 0.50 | — | — | |
| SCHEMBL9217533 | 0.50 | — | — | |
| SCHEMBL3418453 | 0.50 | — | — |
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-117754957-A | Method for combining high-entropy alloy and steel | 中国科学院金属研究所 | 2024-03-26 | — | — | CN | disclosed |