⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL11657628 | 0.91 | — | — | |
| Ethane SCHEMBL11650715 | 0.91 | — | — | |
| Ethane SCHEMBL11654428 | 0.91 | — | — | |
| SCHEMBL30285985 | 0.78 | — | — | |
| Ethane SCHEMBL27891838 | 0.67 | — | — | |
| Ethane SCHEMBL7067779 | 0.67 | — | — | |
| Ethane SCHEMBL119366 | 0.63 | — | — | |
| Ethane SCHEMBL45 | 0.63 | — | — | |
| Ethane SCHEMBL11665218 | 0.63 | — | — | |
| Ethane SCHEMBL11324909 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4022808-A | ZINC-ALUMINUM-TITANIUM-TIN-IRON OR GROUP 5A AS CATALYSTS | NIPPON SODA COMPANY LIMITED (JA) | 1977-05-10 | — | — | US | disclosed |