⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28873397 | 0.93 | — | — | |
| SCHEMBL9489578 | 0.91 | — | — | |
| SCHEMBL5447895 | 0.91 | — | — | |
| SCHEMBL4349083 | 0.91 | — | — | |
| SCHEMBL28166658 | 0.87 | — | — | |
| SCHEMBL27972764 | 0.83 | — | — | |
| SCHEMBL28968628 | 0.83 | — | — | |
| SCHEMBL29230364 | 0.83 | — | — | |
| SCHEMBL27181797 | 0.83 | — | — | |
| SCHEMBL36389 | 0.82 | — | — |
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-8796169-B2 | Catalyst for selective methanization of carbon monoxide | BASF SE (DE) | 2014-08-05 | — | — | US | claimed |