⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3008466 | 0.84 | — | — | |
| Cyanide SCHEMBL727946 | 0.82 | — | — | |
| SCHEMBL8163671 | 0.76 | — | — | |
| Water SCHEMBL620062 | 0.76 | — | — | |
| Water SCHEMBL7063107 | 0.76 | — | — | |
| SCHEMBL7728081 | 0.74 | — | — | |
| SCHEMBL7722212 | 0.74 | — | — | |
| SCHEMBL31084569 | 0.73 | — | — | |
| SCHEMBL208483 | 0.73 | — | — | |
| SCHEMBL5189478 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1228109-B1 | SUPPORTED CATALYST COMPRISING EXPANDED ANIONS | DOW GLOBAL TECHNOLOGIES INC (US) | 2006-02-01 | — | — | EP | claimed |