⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL200858 | 0.89 | — | — | |
| Methane SCHEMBL27938842 | 0.89 | — | — | |
| SCHEMBL28351721 | 0.80 | — | — | |
| Methane SCHEMBL28929898 | 0.80 | — | — | |
| SCHEMBL28666598 | 0.80 | — | — | |
| Selenium SCHEMBL31412076 | 0.80 | — | — | |
| Methane SCHEMBL28319583 | 0.80 | — | — | |
| SCHEMBL23501784 | 0.78 | — | — | |
| SCHEMBL59875 | 0.78 | — | — | |
| Methane SCHEMBL28983486 | 0.73 | — | — |
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-103962187-B | Hydrogenation upgrading catalyst carrier and preparation method thereof, use the hydrogenation upgrading catalyst of this carrier | 北京宝塔三聚能源科技有限公司 | 2016-08-31 | — | — | CN | disclosed |