⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6804589 | 0.82 | — | — | |
| SCHEMBL680079 | 0.73 | — | — | |
| SCHEMBL5545306 | 0.71 | — | — | |
| SCHEMBL14147202 | 0.71 | — | — | |
| SCHEMBL13878998 | 0.71 | — | — | |
| SCHEMBL2046063 | 0.70 | — | — | |
| SCHEMBL14491143 | 0.68 | — | — | |
| SCHEMBL10271622 | 0.68 | ESR1 (0.30) | — | |
| SCHEMBL11529696 | 0.68 | — | — | |
| SCHEMBL15948661 | 0.67 | ELANE (0.34) | — |
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-6743814-B2 | REACTING 4-BROMO-1,1,2-TRIFLUORO-1-BUTENE WITH 2-MERCAPTO-OXAZOLE | NIHON BAYER AGROCHEM K.K. (JP) | 2004-06-01 | — | — | US | disclosed |
| US-20030109563-A1 | Combating nematodes characterized in that trifluorobutenes of the formula (I) are allowed to act on nematodes and/or their habitat. | NIHON BAYER AGROCHIM K.K. (JP) | 2003-06-12 | — | — | US | disclosed |
| EP-1263744-A1 | NEMATICIDAL TRIFLUOROBUTENES | NIHON BAYER AGROCHEM K.K. (JP) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001066529-A1 | NEMATICIDAL TRIFLUOROBUTENES | NIHON BAYER AGROCHEM K.K. (DE) | 2001-09-13 | — | — | WO | disclosed |