⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1509632 | 0.89 | — | — | |
| SCHEMBL5447890 | 0.89 | — | — | |
| SCHEMBL14891947 | 0.89 | — | — | |
| SCHEMBL19064284 | 0.80 | — | — | |
| SCHEMBL16585254 | 0.80 | — | — | |
| SCHEMBL4387939 | 0.78 | — | — | |
| SCHEMBL1575736 | 0.78 | — | — | |
| SCHEMBL784060 | 0.78 | — | — | |
| SCHEMBL2405765 | 0.78 | — | — | |
| SCHEMBL28222294 | 0.78 | — | — |
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 |