⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL45 | 0.82 | — | — | |
| Ethane SCHEMBL119366 | 0.82 | — | — | |
| Ethane SCHEMBL11665218 | 0.82 | — | — | |
| Ethane SCHEMBL11324909 | 0.82 | — | — | |
| Trimethylammonium SCHEMBL23064767 | 0.78 | — | — | |
| Trimethylammonium SCHEMBL9188702 | 0.78 | — | — | |
| Ethane SCHEMBL9146436 | 0.67 | — | — | |
| Ethane SCHEMBL6115334 | 0.67 | — | — | |
| Ethane SCHEMBL23044683 | 0.67 | — | — | |
| Ethane SCHEMBL55155 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101995439-A | Efficient liquid chromatogram-atomic fluorescence spectrum method for measuring mercury forms | RES CT ECO ENV SCIENCES CAS | 2011-03-30 | — | — | CN | disclosed |
| 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 |