⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL402653 | 0.81 | — | — | |
| SCHEMBL8737337 | 0.81 | — | — | |
| SCHEMBL8737361 | 0.79 | — | — | |
| SCHEMBL6523190 | 0.75 | — | — | |
| SCHEMBL16397966 | 0.68 | — | — | |
| SCHEMBL1373321 | 0.63 | — | — | |
| SCHEMBL7776619 | 0.63 | — | — | |
| SCHEMBL2461438 | 0.61 | — | — | |
| SCHEMBL282140 | 0.61 | MEN1 (0.35) | — | |
| SCHEMBL11687636 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6927193-B2 | Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2005-08-09 | — | — | US | disclosed |
| US-6613718-B2 | 2,3-Dihydro-2-thioxo-pyrimidinone derivatives | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2003-09-02 | — | — | US | disclosed |
| US-6303543-B1 | Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2001-10-16 | — | — | US | disclosed |
| US-6121201-A | HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2000-09-19 | — | — | US | disclosed |