⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4592888 | 0.84 | — | — | |
| SCHEMBL4592483 | 0.84 | — | — | |
| SCHEMBL13347595 | 0.73 | CA1 (0.31) | — | |
| SCHEMBL826597 | 0.73 | HDAC3 (0.33) | — | |
| SCHEMBL28235044 | 0.72 | DPP4 (0.31) | — | |
| SCHEMBL31381619 | 0.71 | — | — | |
| SCHEMBL6729100 | 0.68 | — | — | |
| SCHEMBL2820568 | 0.68 | — | — | |
| SCHEMBL28236259 | 0.68 | DPP4 (0.31) | — | |
| SCHEMBL4592925 | 0.68 | PTGS2 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1807398-B1 | NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-06-25 | — | — | EP | disclosed |