⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13835291 | 0.79 | — | — | |
| SCHEMBL29220651 | 0.77 | — | — | |
| SCHEMBL3951521 | 0.73 | — | — | |
| SCHEMBL4863990 | 0.71 | — | — | |
| SCHEMBL7211700 | 0.71 | — | — | |
| SCHEMBL52183 | 0.68 | — | — | |
| SCHEMBL51499 | 0.67 | — | — | |
| SCHEMBL30095961 | 0.67 | — | — | |
| SCHEMBL413257 | 0.66 | — | — | |
| SCHEMBL2804726 | 0.66 | — | — |
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-117774412-A | Composite material, in particular for hydrogen lines of hydrogen fuel cells, method for the production thereof and use thereof | 江西蓝星星火有机硅有限公司 | 2024-03-29 | — | — | CN | disclosed |