⚠ 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 | |
|---|---|---|---|---|
| Cyanate SCHEMBL4536013 | 0.94 | — | — | |
| Cyanate SCHEMBL846511 | 0.94 | — | — | |
| Cyanate SCHEMBL4105819 | 0.94 | — | — | |
| Cyanate SCHEMBL5484287 | 0.94 | CA1 (0.86) | — | |
| Cyanate SCHEMBL8755093 | 0.94 | CA1 (0.86) | — | |
| Cyanate SCHEMBL4351570 | 0.88 | — | — | |
| Cyanate SCHEMBL27973434 | 0.88 | — | — | |
| Cyanate SCHEMBL11037897 | 0.88 | — | — | |
| Cyanate SCHEMBL10748679 | 0.88 | — | — | |
| Cyanate SCHEMBL28525685 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110090385-B | Method for removing zinc-cyanogen complex by catalytic pyrolysis | 东北大学 | 2021-07-27 | — | — | CN | disclosed |