⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28787512 | 0.77 | — | — | |
| SCHEMBL28944906 | 0.74 | — | — | |
| SCHEMBL8565975 | 0.74 | — | — | |
| SCHEMBL8860014 | 0.72 | — | — | |
| SCHEMBL2373008 | 0.69 | — | — | |
| SCHEMBL5257283 | 0.65 | — | — | |
| SCHEMBL10561135 | 0.65 | — | — | |
| SCHEMBL15393209 | 0.65 | — | — | |
| SCHEMBL18539026 | 0.64 | — | — | |
| SCHEMBL4325538 | 0.63 | — | — |
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 |