⚠ 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 | |
|---|---|---|---|---|
| 2-Ethoxyethanol SCHEMBL11805002 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL3887600 | 0.75 | — | — | |
| SCHEMBL28643095 | 0.72 | — | — | |
| SCHEMBL75982 | 0.72 | — | — | |
| SCHEMBL905351 | 0.72 | — | — | |
| SCHEMBL28643093 | 0.72 | — | — | |
| SCHEMBL12573994 | 0.69 | — | — | |
| SCHEMBL892030 | 0.69 | — | — | |
| SCHEMBL436544 | 0.69 | — | — | |
| SCHEMBL9310130 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1551847-A1 | 3,4-ALKYLENEDIOXYTHIOPHENE COMPOUNDS AND POLYMERS THEREOF | Agfa-Gevaert (BE) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004031192-A1 | 3,4-ALKYLENEDIOXYTHIOPHENE COMPOUNDS AND POLYMERS THEREOF | AGFA-GEVAERT (BE) | 2004-04-15 | — | — | WO | disclosed |