⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1461465 | 0.94 | — | — | |
| SCHEMBL11007389 | 0.89 | — | — | |
| Dimethyl Sulfone SCHEMBL31274688 | 0.76 | — | — | |
| SCHEMBL14845610 | 0.74 | — | — | |
| SCHEMBL19838028 | 0.74 | — | — | |
| SCHEMBL31631416 | 0.74 | — | — | |
| Methanesulfonamide SCHEMBL13758825 | 0.74 | — | — | |
| SCHEMBL15866540 | 0.74 | — | — | |
| SCHEMBL2781 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL19411377 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4556413-A | POSTEMERGENCE AND PREEMERGENCE HERBICIDES | HOFFMANN-LA ROCHE INC. (US) | 1985-12-03 | — | — | US | disclosed |