⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194139 | 0.70 | — | — | |
| SCHEMBL21526252 | 0.68 | — | — | |
| SCHEMBL17664699 | 0.67 | — | — | |
| SCHEMBL9668880 | 0.67 | — | — | |
| Bromide SCHEMBL27564189 | 0.67 | — | — | |
| Water SCHEMBL10717161 | 0.67 | — | — | |
| SCHEMBL8024208 | 0.67 | — | — | |
| SCHEMBL21116421 | 0.67 | — | — | |
| SCHEMBL131600 | 0.67 | — | — | |
| Iodide SCHEMBL27951208 | 0.67 | — | — |
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-109963922-B | Aldehyde scavenger and method for removing aldehyde | 东曹株式会社 | 2022-09-23 | — | — | CN | disclosed |