⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9426709 | 0.69 | — | — | |
| SCHEMBL1063831 | 0.69 | — | — | |
| SCHEMBL5388280 | 0.65 | — | — | |
| SCHEMBL3412183 | 0.60 | — | — | |
| SCHEMBL570228 | 0.60 | — | — | |
| SCHEMBL9949606 | 0.60 | — | — | |
| SCHEMBL9350682 | 0.57 | — | — | |
| SCHEMBL10789600 | 0.57 | — | — | |
| SCHEMBL11843414 | 0.57 | — | — | |
| SCHEMBL5909 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0798285-A2 | 3,4,4-Trifluoro-3-butenoic acid or its methyl ester | MONSANTO COMPANY (US) | 1997-10-01 | — | — | EP | disclosed |
| EP-0640069-A1 | FLUOROALKENYL COMPOUNDS AND THEIR USE AS PEST REPELLENTS | MONSANTO COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |
| WO-1992015555-A2 | FLUOROALKENYL COMPOUNDS AND THEIR USE AS PEST REPELLENTS | MONSANTO COMPANY (US) | 1992-09-17 | — | — | WO | disclosed |