⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10985755 | 0.88 | KCNH2 (0.38) | — | |
| SCHEMBL6803477 | 0.82 | — | — | |
| SCHEMBL4544334 | 0.76 | — | — | |
| SCHEMBL13550174 | 0.74 | NOS3 (0.34) | — | |
| SCHEMBL23153451 | 0.71 | NOS3 (0.32) | — | |
| SCHEMBL10058005 | 0.71 | NOS3 (0.32) | — | |
| SCHEMBL5547292 | 0.69 | NOS3 (0.32) | — | |
| SCHEMBL13827633 | 0.68 | CTSK (0.36) | — | |
| SCHEMBL12844627 | 0.67 | DRD2 (0.51) | — | |
| SCHEMBL5546571 | 0.67 | S1PR1 (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 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 |