⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28287002 | 0.67 | POLB (0.30) | — | |
| SCHEMBL22716616 | 0.67 | — | — | |
| SCHEMBL5460819 | 0.65 | — | — | |
| SCHEMBL4760803 | 0.63 | — | — | |
| SCHEMBL27876463 | 0.63 | — | — | |
| SCHEMBL29078906 | 0.61 | — | — | |
| SCHEMBL22372345 | 0.61 | — | — | |
| SCHEMBL31741293 | 0.61 | POLB (0.32) | — | |
| SCHEMBL1899036 | 0.54 | — | — | |
| SCHEMBL174851 | 0.54 | — | — |
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-107141487-B | Preparation method of monocyclic aromatic type high-efficiency water reducing agent | 金陵科技学院 | 2020-04-14 | — | — | CN | disclosed |