⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31350253 | 0.85 | — | — | |
| SCHEMBL2478273 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL1375572 | 0.78 | — | — | |
| SCHEMBL28937205 | 0.76 | — | — | |
| SCHEMBL14319853 | 0.76 | — | — | |
| SCHEMBL1375574 | 0.76 | — | — | |
| SCHEMBL7264130 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL27861208 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL28421662 | 0.73 | — | — | |
| SCHEMBL28420589 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106456463-B | Dentifrice compositions with improved fluoride ion stability or fluoride uptake | 宝洁公司 | 2020-05-19 | — | — | CN | disclosed |
| WO-1993013801-A1 | TREATMENT FOR ATHEROSCLEROSIS | THE PROCTER & GAMBLE COMPANY (US) | 1993-07-22 | — | — | WO | disclosed |