⚠ 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 SCHEMBL5484287 | 1.00 | CA1 (0.86) | — | |
| Cyanate SCHEMBL4105819 | 1.00 | — | — | |
| Cyanate SCHEMBL28525685 | 0.94 | — | — | |
| Cyanate SCHEMBL4351570 | 0.94 | — | — | |
| Cyanate SCHEMBL6682804 | 0.94 | CA1 (0.75) | — | |
| Cyanate SCHEMBL28601876 | 0.94 | — | — | |
| Cyanate SCHEMBL27973434 | 0.94 | — | — | |
| Cyanate SCHEMBL10748679 | 0.94 | — | — | |
| Cyanate SCHEMBL27945244 | 0.94 | — | — | |
| Cyanate SCHEMBL9247034 | 0.93 | CA1 (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117487157-A | Bactericide for polymer | 天津工业大学 | 2024-02-02 | — | — | CN | disclosed |
| US-20090182140-A1 | Alicyclic Heterocyclic Compound | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-07-16 | — | — | US | disclosed |
| EP-1970373-A1 | ALICYCLIC HETEROCYCLIC COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-09-17 | — | — | EP | disclosed |