⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL9840753 | 0.94 | — | — | |
| SCHEMBL63067 | 0.93 | — | — | |
| SCHEMBL27610197 | 0.93 | — | — | |
| SCHEMBL1331802 | 0.93 | — | — | |
| SCHEMBL8060648 | 0.86 | — | — | |
| SCHEMBL16618629 | 0.86 | — | — | |
| SCHEMBL3224547 | 0.86 | — | — | |
| SCHEMBL8796800 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL9840195 | 0.86 | — | — | |
| SCHEMBL3887385 | 0.86 | — | — |
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-4999178-A | Reaction with carbon dioxide | BOWMAN MELVIN G (US) | 1991-03-12 | — | — | US | claimed |