⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL938952 | 0.87 | — | — | |
| SCHEMBL1935019 | 0.86 | GAA (0.32) | — | |
| SCHEMBL3747062 | 0.82 | — | — | |
| SCHEMBL4026385 | 0.80 | ADAMTS5 (0.34) | — | |
| SCHEMBL3380689 | 0.78 | MPO (0.43) | — | |
| SCHEMBL3741118 | 0.77 | CYP2C9 (0.33) | — | |
| SCHEMBL4030626 | 0.75 | — | — | |
| SCHEMBL3381049 | 0.75 | — | — | |
| SCHEMBL19510500 | 0.75 | GAA (0.33) | — | |
| SCHEMBL3382189 | 0.75 | MEN1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7833939-B2 | Herbicide compositions | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20050256004-A1 | Herbicide compositions | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2005-11-17 | — | — | US | disclosed |