⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83191 | 0.91 | — | — | |
| SCHEMBL28748127 | 0.87 | — | — | |
| Water SCHEMBL16162731 | 0.87 | — | — | |
| SCHEMBL6346633 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL15348577 | 0.87 | — | — | |
| SCHEMBL809265 | 0.80 | — | — | |
| SCHEMBL28423828 | 0.80 | — | — | |
| Dichloropropane SCHEMBL15311702 | 0.78 | — | — | |
| Dimethylamine SCHEMBL28876353 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL21021642 | 0.75 | — | — |
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-109772277-A | Adsorbents for lead ion pyrolytic and preparation method thereof in a kind for the treatment of of acidic wastewater | 济南大学 | 2019-05-21 | — | — | CN | disclosed |