⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1310663 | 0.93 | — | — | |
| SCHEMBL4431068 | 0.93 | — | — | |
| SCHEMBL28334842 | 0.86 | — | — | |
| SCHEMBL2471336 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL15022782 | 0.86 | — | — | |
| Bromide SCHEMBL160771 | 0.86 | — | — | |
| Water SCHEMBL11749306 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL161961 | 0.86 | — | — | |
| Iodide SCHEMBL11793013 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28044465 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090111189-A1 | ORGANIC AND INORGANIC MERCURY DETECTION | ALBERTA RESEARCH COUNCIL INC. (CA) | 2009-04-30 | — | — | US | disclosed |
| WO-2009052636-A1 | ORGANIC AND INORGANIC MERCURY DETECTION | ALBERTA RESEARCH COUNCIL INC. (CA) | 2009-04-30 | — | — | WO | disclosed |