⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35817 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL277599 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL3882937 | 0.92 | — | — | |
| Ethylene SCHEMBL27314935 | 0.90 | — | — | |
| SCHEMBL7522856 | 0.88 | — | — | |
| Carbon Tetrachloride SCHEMBL28196165 | 0.87 | — | — | |
| SCHEMBL1082507 | 0.85 | — | — | |
| SCHEMBL3339296 | 0.83 | CA12 (0.33) | — | |
| SCHEMBL9351404 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL28445987 | 0.78 | — | — |
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-110198996-A | Composition and method for producing a functionalized roughened surface and method for producing a repellent surface | 适应性表面技术股份有限公司 | 2019-09-03 | — | — | CN | disclosed |