⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1342561 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28640336 | 0.94 | — | — | |
| SCHEMBL11211880 | 0.94 | — | — | |
| SCHEMBL17075264 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL7017571 | 0.74 | — | — | |
| SCHEMBL11450270 | 0.74 | — | — | |
| SCHEMBL28860083 | 0.73 | — | — | |
| SCHEMBL28231012 | 0.72 | — | — | |
| SCHEMBL27332895 | 0.72 | — | — | |
| SCHEMBL28399776 | 0.72 | — | — |
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-106674073-B | The preparation method of porous Bismuth dibutyldithiocarbamate visible light catalyst | 西安交通大学 | 2018-10-19 | — | — | CN | disclosed |
| CN-106674073-A | Method for preparing porous bismuth dibutyldithiocarbamate visible light catalyst | 西安交通大学 | 2017-05-17 | — | — | CN | disclosed |