⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29351188 | 0.82 | — | — | |
| SCHEMBL9559497 | 0.82 | — | — | |
| SCHEMBL4115323 | 0.67 | — | — | |
| SCHEMBL17295457 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL22372302 | 0.67 | — | — | |
| SCHEMBL23040650 | 0.58 | — | — | |
| SCHEMBL158268 | 0.58 | — | — | |
| SCHEMBL321 | 0.58 | — | — | |
| SCHEMBL17629825 | 0.58 | — | — | |
| SCHEMBL8560847 | 0.58 | — | — |
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-116065122-A | Composite deuterium storage coating for neutron emission tube and preparation method thereof | 有研工程技术研究院有限公司 | 2023-05-05 | — | — | CN | disclosed |