⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17157534 | 0.82 | — | — | |
| SCHEMBL28048587 | 0.80 | CA12 (0.35) | — | |
| SCHEMBL20702833 | 0.79 | MAPT (0.32) | — | |
| SCHEMBL1439035 | 0.78 | GLO1 (0.30) | — | |
| SCHEMBL28814756 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL27489862 | 0.76 | — | — | |
| SCHEMBL990517 | 0.75 | MAPT (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL29053959 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL29129917 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL27800543 | 0.73 | MAPT (0.33) | — |
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-104185468-B | The dental binding agent of one pack system | 可乐丽则武齿科株式会社 | 2016-10-12 | — | — | CN | disclosed |