⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28806090 | 0.89 | — | — | |
| SCHEMBL28898621 | 0.87 | — | — | |
| SCHEMBL7919895 | 0.87 | — | — | |
| SCHEMBL27843931 | 0.87 | — | — | |
| SCHEMBL753393 | 0.87 | — | — | |
| SCHEMBL29232740 | 0.87 | — | — | |
| SCHEMBL30288183 | 0.87 | — | — | |
| SCHEMBL9717700 | 0.87 | — | — | |
| SCHEMBL7919898 | 0.87 | — | — | |
| SCHEMBL9295451 | 0.82 | — | — |
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-113088630-B | Method for modifying martensite air valve steel carbide | 上大新材料(泰州)研究院有限公司 | 2022-06-21 | — | — | CN | disclosed |
| CN-113088630-A | Method for modifying martensite air valve steel carbide | 上大新材料(泰州)研究院有限公司 | 2021-07-09 | — | — | CN | disclosed |