⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9779906 | 0.93 | — | — | |
| Scyllitol SCHEMBL1616453 | 0.62 | LMNA (0.83) | — | |
| Inositol SCHEMBL1615468 | 0.62 | LMNA (0.83) | — | |
| Ammonia Solution, Strong SCHEMBL28544810 | 0.54 | — | — | |
| Ammonia Solution, Strong SCHEMBL155735 | 0.54 | — | — | |
| Ammonia Solution, Strong SCHEMBL515269 | 0.54 | — | — | |
| Ammonia Solution, Strong SCHEMBL584930 | 0.54 | — | — | |
| Ammonia Solution, Strong SCHEMBL9061212 | 0.54 | — | — | |
| Scyllitol SCHEMBL188106 | 0.51 | LMNA (1.00) | — | |
| Scyllitol SCHEMBL4447990 | 0.51 | LMNA (1.00) | — |
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-115461091-A | Deodorant solution | 理研香料控股株式会社 | 2022-12-09 | — | — | CN | disclosed |