⚠ 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 SCHEMBL28879670 | 1.00 | — | — | |
| Cyanate SCHEMBL2066718 | 0.94 | CA1 (0.75) | — | |
| Cyanate SCHEMBL28651441 | 0.94 | — | — | |
| Cyanate SCHEMBL28893564 | 0.94 | — | — | |
| Cyanate SCHEMBL28893530 | 0.94 | — | — | |
| Cyanate SCHEMBL28879643 | 0.89 | — | — | |
| Cyanate SCHEMBL28879632 | 0.89 | — | — | |
| Cyanate SCHEMBL28888926 | 0.89 | — | — | |
| Cyanate SCHEMBL9933514 | 0.88 | — | — | |
| Cyanate SCHEMBL639066 | 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-115125565-A | Method for resisting electrolytic seawater anodic corrosion | 北京化工大学 | 2022-09-30 | — | — | CN | disclosed |