⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL22518036 | 0.86 | TSHR (0.30) | — | |
| SCHEMBL6413 | 0.85 | — | — | |
| SCHEMBL2343587 | 0.85 | — | — | |
| Hydroxyamine SCHEMBL5188077 | 0.82 | — | — | |
| SCHEMBL3869195 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL3401376 | 0.80 | — | — | |
| Helium SCHEMBL21981839 | 0.80 | — | — | |
| SCHEMBL5596133 | 0.80 | — | — | |
| SCHEMBL5855816 | 0.80 | — | — | |
| SCHEMBL1059751 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725669-A4 | METHODS FOR FORMING STRUCTURALLY DEFINED ORGANIC MOLECULES | DOW CORNING (US) | 2009-04-29 | — | — | EP | disclosed |
| EP-1725669-A1 | METHODS FOR FORMING STRUCTURALLY DEFINED ORGANIC MOLECULES | Dow Corning Corporation (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005085459-A1 | METHODS FOR FORMING STRUCTURALLY DEFINED ORGANIC MOLECULES | DOW CORNING CORPORATION (US) | 2005-09-15 | — | — | WO | disclosed |