⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51376 | 0.97 | — | — | |
| SCHEMBL27817139 | 0.88 | ALDH1A1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL11801654 | 0.78 | — | — | |
| SCHEMBL1578778 | 0.76 | — | — | |
| SCHEMBL9720623 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL11145544 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL9720619 | 0.76 | ALDH1A1 (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL18490013 | 0.74 | — | — | |
| SCHEMBL6950834 | 0.73 | ALDH1A1 (0.56) | — | |
| SCHEMBL8295 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689065-A | For treating the phosphinylidyne aminate of hepatitis type B virus | 埃默里大学 | 2019-04-26 | — | — | CN | disclosed |