⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12855521 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL357746 | 0.80 | — | — | |
| Arsenic SCHEMBL8837430 | 0.80 | — | — | |
| SCHEMBL11692782 | 0.78 | — | — | |
| SCHEMBL9721109 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL10180 | 0.73 | — | — | |
| SCHEMBL22819 | 0.73 | — | — | |
| SCHEMBL1104695 | 0.73 | — | — | |
| SCHEMBL4577180 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL5088015 | 0.70 | — | — |
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-104151397-A | Novel thiabicyclo organic arsenide compound and synthesis method thereof, as well as application in anti-tumor field | UNIV BEIJING | 2014-11-19 | — | — | CN | disclosed |