⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9499720 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL9496291 | 0.75 | HSPB1 (0.39) | — | |
| SCHEMBL9497883 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL9500512 | 0.74 | MAOA (0.45) | — | |
| SCHEMBL9498280 | 0.74 | MAPT (0.45) | — | |
| SCHEMBL9498019 | 0.74 | TEAD4 (0.45) | — | |
| SCHEMBL9364922 | 0.73 | LTA4H (0.50) | — | |
| SCHEMBL9775401 | 0.69 | IDO1 (0.45) | — | |
| SCHEMBL9496753 | 0.69 | PARP15 (0.43) | — | |
| SCHEMBL6652862 | 0.67 | MAOA (0.52) | — |
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-0343441-B1 | FLUORINATED BIS-ARYLOXY-SUBSTITUTED ALKENES, METHOD FOR THEIR PRODUCTION AN THEIR APPLICATION | BAYER AG (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-4990633-A | Used as insulating agents | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| EP-0343441-A2 | Fluorinated bis-aryloxy-substituted alkenes, method for their production an their application | BAYER AG (DE) | 1989-11-29 | — | — | EP | disclosed |