⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL28238561 | 0.91 | — | — | |
| Methane SCHEMBL25330285 | 0.91 | — | — | |
| SCHEMBL29157575 | 0.89 | — | — | |
| SCHEMBL5844717 | 0.89 | — | — | |
| SCHEMBL29226082 | 0.89 | — | — | |
| Methane SCHEMBL891097 | 0.89 | — | — | |
| SCHEMBL15106031 | 0.80 | — | — | |
| Magnesium SCHEMBL31174390 | 0.80 | — | — | |
| SCHEMBL25334115 | 0.80 | — | — | |
| SCHEMBL15106030 | 0.80 | — | — |
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-105817235-B | Low nickel multicomponent alloy catalyst of a kind of iron-based and the preparation method and application thereof | 北京中材人工晶体研究院有限公司 | 2018-09-11 | — | — | CN | disclosed |