⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8569880 | 0.73 | — | — | |
| SCHEMBL1890480 | 0.73 | — | — | |
| SCHEMBL5037193 | 0.69 | — | — | |
| SCHEMBL6014349 | 0.69 | — | — | |
| SCHEMBL8565972 | 0.69 | — | — | |
| SCHEMBL8860070 | 0.69 | — | — | |
| SCHEMBL29120046 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL8860041 | 0.67 | SLC22A6 (0.38) | — | |
| SCHEMBL6823805 | 0.67 | — | — | |
| SCHEMBL4575941 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997009333-A1 | NOVEL THIO-PHOSPHOORGANIC COMPOUNDS WITH PLANT PROTECTING ACTIVITY | SITRA FOUNDATION (FI) | 1997-03-13 | — | — | WO | disclosed |