⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5731729 | 0.79 | — | — | |
| SCHEMBL5730755 | 0.79 | — | — | |
| SCHEMBL19056343 | 0.78 | — | — | |
| SCHEMBL5316569 | 0.74 | — | — | |
| SCHEMBL17646208 | 0.74 | — | — | |
| SCHEMBL17816166 | 0.71 | NISCH (0.48) | — | |
| SCHEMBL10025619 | 0.70 | — | — | |
| SCHEMBL23059657 | 0.69 | — | — | |
| SCHEMBL17272433 | 0.69 | ADRA2A (0.33) | — | |
| SCHEMBL2297591 | 0.69 | ADRA2A (0.36) | — |
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-B1 | 3,4-ALKYLENEDIOXYTHIOPHENE COMPOUNDS AND POLYMERS THEREOF | AGFA GEVAERT (BE) | 2006-07-05 | — | — | EP | disclosed |
| US-7022811-B2 | 3,4-Alkylenedioxythiophene compounds and polymers thereof | AGFA-GEVAERT (BE) | 2006-04-04 | — | — | US | disclosed |