⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8466168 | 0.74 | — | — | |
| SCHEMBL8466932 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL20772959 | 0.65 | — | — | |
| SCHEMBL2003790 | 0.64 | — | — | |
| Methoxymethane SCHEMBL27743090 | 0.63 | ALDH1A1 (0.39) | — | |
| Ether SCHEMBL22832145 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL3269338 | 0.61 | ALDH1A1 (0.50) | — | |
| SCHEMBL407693 | 0.61 | ALDH1A1 (0.50) | — | |
| SCHEMBL8570563 | 0.61 | — | — | |
| SCHEMBL1631214 | 0.61 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0780362-B1 | 3,3-Dioxy-4,4,4-trifluorobutyric acid derivatives | BAYER AG (DE) | 1999-10-20 | — | — | EP | claimed |
| US-5739394-A | 3,3-dioxy-4,4,4-trifluorobutyric acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-14 | — | — | US | claimed |
| EP-0780362-A1 | 3,3-Dioxy-4,4,4-trifluorobutyric acid derivatives | BAYER AG (DE) | 1997-06-25 | — | — | EP | claimed |
| EP-0780362-B1 | 3,3-Dioxy-4,4,4-trifluorobutyric acid derivatives | BAYER AG (DE) | 1999-10-20 | — | — | EP | disclosed |
| US-5739394-A | 3,3-dioxy-4,4,4-trifluorobutyric acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-14 | — | — | US | disclosed |
| EP-0780362-A1 | 3,3-Dioxy-4,4,4-trifluorobutyric acid derivatives | BAYER AG (DE) | 1997-06-25 | — | — | EP | disclosed |