⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1646154 | 0.80 | — | — | |
| Magnesium SCHEMBL28091568 | 0.78 | — | — | |
| SCHEMBL9700796 | 0.76 | — | — | |
| SCHEMBL28311326 | 0.71 | — | — | |
| SCHEMBL28523846 | 0.71 | — | — | |
| SCHEMBL27646525 | 0.66 | — | — | |
| SCHEMBL4308939 | 0.66 | — | — | |
| SCHEMBL27625568 | 0.61 | — | — | |
| SCHEMBL23086314 | 0.60 | — | — | |
| SCHEMBL28436928 | 0.60 | — | — |
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-106011718-A | Black metal surface treatment material and preparation method | 芜湖三刀材料科技有限公司 | 2016-10-12 | — | — | CN | claimed |
| CN-105862032-A | Metal surface wear-resistant coating and preparation method thereof | 芜湖三刀材料科技有限公司 | 2016-08-17 | — | — | CN | disclosed |