⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL134193 | 0.67 | MEN1 (0.34) | — | |
| SCHEMBL16045960 | 0.65 | KEAP1 (0.53) | — | |
| SCHEMBL7558103 | 0.64 | HSP90AA1 (0.35) | — | |
| SCHEMBL4433500 | 0.64 | LMNA (0.38) | — | |
| SCHEMBL2333580 | 0.64 | HSP90AA1 (0.41) | — | |
| SCHEMBL21247994 | 0.64 | HSP90AA1 (0.41) | — | |
| SCHEMBL1007992 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL11794821 | 0.62 | HSP90AA1 (0.33) | — | |
| Hydrogen Sulfide SCHEMBL8036769 | 0.62 | HSP90AA1 (0.33) | — | |
| SCHEMBL1356846 | 0.61 | L3MBTL1 (0.53) | — |
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-2008114493-A1 | HERBICIDE COMPOSITION | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2008-09-25 | — | — | WO | disclosed |