⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5436177 | 0.83 | OPRK1 (0.35) | — | |
| SCHEMBL5436173 | 0.83 | OPRK1 (0.35) | — | |
| SCHEMBL5728226 | 0.83 | — | — | |
| SCHEMBL5728218 | 0.81 | CUL4A (0.33) | — | |
| SCHEMBL6102544 | 0.77 | — | — | |
| SCHEMBL5731426 | 0.76 | ALOX5 (0.34) | — | |
| SCHEMBL6103768 | 0.75 | — | — | |
| SCHEMBL2157865 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL15498328 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL6102735 | 0.74 | — | — |
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-1694665-A2 | SUBSTITUTED THIOPHENES | AiCuris GmbH & Co. KG (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005063734-A2 | SUBSTITUTED THIOPHENES | AICURIS GMBH & CO. KG (DE) | 2005-07-14 | — | — | WO | disclosed |