⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127444 | 0.87 | — | — | |
| Benzene SCHEMBL28180746 | 0.75 | CA1 (0.35) | — | |
| Bicarbonate SCHEMBL27719972 | 0.72 | — | — | |
| SCHEMBL367026 | 0.71 | — | — | |
| Allylamine SCHEMBL625981 | 0.67 | — | — | |
| SCHEMBL1845613 | 0.67 | CA1 (0.41) | — | |
| Fluoride SCHEMBL23581255 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL15328527 | 0.66 | — | — | |
| SCHEMBL8916286 | 0.66 | — | — | |
| Fluoride SCHEMBL28277959 | 0.66 | — | — |
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-2044095-B1 | NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS | HOFFMANN LA ROCHE (CH) | 2009-08-26 | — | — | EP | disclosed |