⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446877 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL8916573 | 0.79 | MGAM (0.38) | — | |
| SCHEMBL28236422 | 0.78 | SQLE (0.31) | — | |
| SCHEMBL27445719 | 0.77 | — | — | |
| SCHEMBL8526100 | 0.77 | — | — | |
| SCHEMBL27281470 | 0.75 | MGAM (0.52) | — | |
| SCHEMBL9421370 | 0.73 | MGAM (0.33) | — | |
| SCHEMBL28296514 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL848574 | 0.71 | PHF8 (0.45) | — | |
| SCHEMBL28047872 | 0.71 | TSHR (0.59) | — |
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-109721720-A | A kind of esters polyethers, preparation method, the application in water-reducing agent preparation and the water-reducing agent as made from the esters polyethers | 辽宁奥克化学股份有限公司 | 2019-05-07 | — | — | CN | disclosed |