⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1478390 | 0.72 | — | — | |
| SCHEMBL5488374 | 0.72 | — | — | |
| SCHEMBL1478393 | 0.72 | — | — | |
| SCHEMBL216036 | 0.72 | — | — | |
| SCHEMBL7056084 | 0.58 | — | — | |
| SCHEMBL5274498 | 0.56 | — | — | |
| SCHEMBL6281992 | 0.55 | — | — | |
| SCHEMBL121683 | 0.53 | — | — | |
| SCHEMBL19738769 | 0.51 | — | — | |
| SCHEMBL300801 | 0.51 | IDO1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030187258-A1 | Novel benzimidazole compounds | US GOVERNMENT - SECRETARY FOR THE ARMY | 2003-10-02 | — | — | US | claimed |
| WO-2003066622-A1 | NOVEL BENZIMIDAZOLE COMPOUNDS | ISIS, PHARMACEUTICALS (US) | 2003-08-14 | — | — | WO | claimed |