⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8568304 | 1.00 | — | — | |
| SCHEMBL8567434 | 0.92 | — | — | |
| SCHEMBL8567437 | 0.92 | — | — | |
| SCHEMBL8559471 | 0.91 | — | — | |
| SCHEMBL8559475 | 0.91 | — | — | |
| SCHEMBL9048796 | 0.90 | — | — | |
| SCHEMBL9048793 | 0.90 | — | — | |
| SCHEMBL8562173 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL8562171 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL9824569 | 0.83 | GAA (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0548593-B1 | Tetrahydrofuran derivative and herbicide containing the same as effective ingredient | MITSUBISHI CHEM CORP (JP) | 1998-04-22 | — | — | EP | disclosed |
| US-5405828-A | Selective pre- and postemergence herbicides | MITSUBISHI KASEI CORPORATION (JP) | 1995-04-11 | — | — | US | disclosed |
| US-5324709-A | Safety on crops | MITSUBISHI KASEI CORPORATION (JP) | 1994-06-28 | — | — | US | disclosed |
| EP-0548593-A1 | Tetrahydrofuran derivative and herbicide containing the same as effective ingredient | Mitsubishi Chemical Corporation (JP) | 1993-06-30 | — | — | EP | disclosed |