⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28220895 | 0.87 | — | — | |
| SCHEMBL10904997 | 0.87 | — | — | |
| SCHEMBL28969677 | 0.87 | — | — | |
| SCHEMBL29176101 | 0.87 | — | — | |
| SCHEMBL28338161 | 0.75 | — | — | |
| SCHEMBL28163999 | 0.75 | — | — | |
| SCHEMBL28990950 | 0.75 | — | — | |
| SCHEMBL8510286 | 0.71 | — | — | |
| SCHEMBL11882689 | 0.71 | — | — | |
| SCHEMBL8912718 | 0.71 | — | — |
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-110155944-B | Method for preparing hydrogen and hydrogen peroxide by hydrolysis | 四川师范大学 | 2020-10-13 | — | — | CN | disclosed |