⚠ 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 SCHEMBL28879643 | 0.94 | — | — | |
| Cyanate SCHEMBL28879670 | 0.94 | — | — | |
| Cyanate SCHEMBL28879653 | 0.94 | — | — | |
| Cyanate SCHEMBL9933514 | 0.94 | — | — | |
| Cyanate SCHEMBL639066 | 0.94 | — | — | |
| Cyanate SCHEMBL28666261 | 0.94 | — | — | |
| Cyanate SCHEMBL711436 | 0.94 | — | — | |
| Cyanate SCHEMBL6536769 | 0.88 | CA1 (0.75) | — | |
| Cyanate SCHEMBL6679685 | 0.88 | — | — | |
| Cyanate SCHEMBL8034810 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115626798-A | Carbon capture concrete based on metal organic framework material and preparation method thereof | 中建西部建设新疆有限公司 | 2023-01-20 | — | — | CN | claimed |
| CN-115626798-A | Carbon capture concrete based on metal organic framework material and preparation method thereof | 中建西部建设新疆有限公司 | 2023-01-20 | — | — | CN | disclosed |
| CN-115233234-A | Method for resisting electrolysis seawater cathode surface sodium chloride crystallization | 北京化工大学 | 2022-10-25 | — | — | CN | disclosed |