⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8565972 | 0.78 | — | — | |
| SCHEMBL8860012 | 0.73 | — | — | |
| SCHEMBL1890480 | 0.71 | — | — | |
| SCHEMBL6014349 | 0.67 | — | — | |
| SCHEMBL8860070 | 0.67 | — | — | |
| SCHEMBL5037193 | 0.67 | — | — | |
| SCHEMBL29120046 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL8860041 | 0.65 | SLC22A6 (0.38) | — | |
| Cysteine SCHEMBL1512829 | 0.65 | PTGS1 (0.80) | — | |
| SCHEMBL6823805 | 0.65 | — | — |
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-1998008387-A1 | PLANT PROTECTANTS | KHOMUTOV RADII M (RU) | 1998-03-05 | — | — | WO | disclosed |