⚠ 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 SCHEMBL28764861 | 1.00 | — | — | |
| Cyanate SCHEMBL9995064 | 1.00 | — | — | |
| Cyanate SCHEMBL9827089 | 0.94 | — | — | |
| Cyanate SCHEMBL6536769 | 0.94 | CA1 (0.75) | — | |
| Cyanate SCHEMBL7167219 | 0.94 | — | — | |
| Cyanate SCHEMBL18662719 | 0.94 | — | — | |
| Cyanate SCHEMBL10748679 | 0.94 | — | — | |
| Cyanate SCHEMBL20603890 | 0.94 | — | — | |
| Cyanate SCHEMBL8057909 | 0.94 | — | — | |
| Cyanate SCHEMBL6679685 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4997970-A | Slurrying, isomerization with catalyst | FMC CORPORATION (US) | 1991-03-05 | — | — | US | disclosed |