⚠ 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 | |
|---|---|---|---|---|
| Ditiocarb SCHEMBL28246801 | 0.97 | ABCB11 (0.88) | — | |
| Ditiocarb SCHEMBL30777192 | 0.97 | ABCB11 (1.00) | — | |
| Ditiocarb SCHEMBL48382 | 0.97 | — | — | |
| Ditiocarb SCHEMBL622679 | 0.94 | — | — | |
| Ditiocarb SCHEMBL21801890 | 0.94 | — | — | |
| Ditiocarb SCHEMBL23045104 | 0.94 | — | — | |
| Ditiocarb SCHEMBL3134487 | 0.94 | — | — | |
| Ditiocarb SCHEMBL21359739 | 0.94 | ABCB11 (0.94) | — | |
| Ditiocarb SCHEMBL451162 | 0.94 | — | — | |
| Ditiocarb SCHEMBL979010 | 0.94 | — | — |
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-103747839-B | The necessary addition of heavy metal treatment agent determines the processing method and heavy metal treatment agent that method, heavy metal contain thing | 东曹株式会社 | 2016-08-17 | — | — | CN | disclosed |
| CN-103747839-A | Method for determining necessary amount of heavy metal treatment agent, method for treatment of heavy metal-containing matter, and heavy metal treatment agent | TOSOH CORP | 2014-04-23 | — | — | CN | disclosed |