⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29190853 | 0.89 | — | — | |
| SCHEMBL17045846 | 0.87 | — | — | |
| SCHEMBL28909555 | 0.75 | — | — | |
| SCHEMBL2957149 | 0.71 | — | — | |
| SCHEMBL11880553 | 0.58 | — | — | |
| SCHEMBL14798177 | 0.58 | — | — | |
| Water SCHEMBL25436674 | 0.50 | — | — | |
| SCHEMBL8641010 | 0.50 | — | — | |
| SCHEMBL871136 | 0.50 | — | — | |
| SCHEMBL9115830 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112538602-B | High-nickel cast iron workpiece surface treatment process | 武汉力盾新材料科技有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-112538602-A | Surface treatment process for high-nickel cast iron workpiece | 武汉力盾新材料科技有限公司 | 2021-03-23 | — | — | CN | disclosed |