⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6160472 | 0.96 | HSP90B1 (0.31) | — | |
| SCHEMBL6165530 | 0.95 | HSP90B1 (0.30) | — | |
| SCHEMBL6161197 | 0.95 | HSP90B1 (0.30) | — | |
| SCHEMBL6160763 | 0.95 | HSP90B1 (0.30) | — | |
| SCHEMBL6160699 | 0.92 | — | — | |
| SCHEMBL6162454 | 0.90 | — | — | |
| SCHEMBL6160433 | 0.90 | — | — | |
| SCHEMBL6165011 | 0.90 | — | — | |
| SCHEMBL6162988 | 0.88 | HSP90B1 (0.30) | — | |
| SCHEMBL6160687 | 0.87 | — | — |
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-0893442-B1 | LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES | SHIONOGI & CO (JP) | 2005-01-12 | — | — | EP | disclosed |
| US-6054591-A | LYMPHOTROPIC ANTI-AIDS AGENT | SHIONOGI & CO., LTD. (JP) | 2000-04-25 | — | — | US | disclosed |
| EP-0893442-A1 | LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 1999-01-27 | — | — | EP | disclosed |