⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28001478 | 0.86 | MAPT (0.50) | — | |
| SCHEMBL27822568 | 0.85 | MAPT (0.48) | — | |
| SCHEMBL28036836 | 0.78 | — | — | |
| SCHEMBL10967083 | 0.77 | ABCC4 (0.34) | — | |
| SCHEMBL5862560 | 0.77 | ABCC4 (0.46) | — | |
| SCHEMBL10719854 | 0.76 | MAPT (0.33) | — | |
| SCHEMBL18131874 | 0.75 | CHRM1 (0.46) | — | |
| SCHEMBL4050183 | 0.75 | — | — | |
| SCHEMBL27371226 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL28769395 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1057755-C | Process for preparing fluoroalkenyl compounds | MONSANTO CO (US) | 2000-10-25 | — | — | CN | disclosed |
| CN-1064479-A | Fluorinated alkenyl compounds and their use as insect repellents | MONSANTO CO (US) | 1992-09-16 | — | — | CN | disclosed |
| CN-1053054-A | The preparation method of halogenated olefine and as desinsection and acaricidal application | SCHERING AG (DE) | 1991-07-17 | — | — | CN | disclosed |
| EP-0273008-A2 | Process for the preparation of 2,2-difluoropent-4-ene-carboxylic acids and derivatives | CIBA-GEIGY AG (CH) | 1988-06-29 | — | — | EP | disclosed |