⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8615368 | 0.79 | MCL1 (0.40) | — | |
| SCHEMBL27569659 | 0.79 | HDAC8 (0.39) | — | |
| SCHEMBL8348397 | 0.77 | — | — | |
| SCHEMBL8482532 | 0.77 | KDM4E (0.40) | — | |
| SCHEMBL2194265 | 0.71 | — | — | |
| SCHEMBL395383 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL8781587 | 0.71 | CXCL8 (0.35) | — | |
| SCHEMBL8556055 | 0.71 | KDM5B (0.46) | — | |
| SCHEMBL8932166 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL8531593 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640069-B1 | FLUOROALKENYL COMPOUNDS AND THEIR USE AS PEST REPELLENTS | MONSANTO CO (US) | 1998-11-04 | — | — | EP | claimed |
| US-5457134-A | Controlling nematodes, insects, acarids on plants | MONSANTO COMPANY (US) | 1995-10-10 | — | — | US | claimed |
| EP-0640069-A1 | FLUOROALKENYL COMPOUNDS AND THEIR USE AS PEST REPELLENTS | MONSANTO COMPANY (US) | 1995-03-01 | — | — | EP | claimed |
| WO-1992015555-A2 | FLUOROALKENYL COMPOUNDS AND THEIR USE AS PEST REPELLENTS | MONSANTO COMPANY (US) | 1992-09-17 | — | — | WO | claimed |
| CN-1269136-A | Fluoric alkenyl compound and use as insect repellent agent | MONSANTO CO (US) | 2000-10-11 | — | — | CN | disclosed |