⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6497503 | 0.91 | — | — | |
| SCHEMBL11288759 | 0.78 | TSHR (0.58) | — | |
| SCHEMBL6127512 | 0.78 | TSHR (0.58) | — | |
| SCHEMBL7809703 | 0.78 | — | — | |
| SCHEMBL6942624 | 0.75 | — | — | |
| Hexane SCHEMBL28205799 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL829040 | 0.75 | — | — | |
| SCHEMBL23869543 | 0.73 | TSHR (0.52) | — | |
| SCHEMBL17848839 | 0.73 | TSHR (0.52) | — | |
| SCHEMBL3742821 | 0.73 | TSHR (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6969712-B2 | Benzimidazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-11-29 | — | — | US | disclosed |
| US-20040044056-A1 | Benzimidazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-03-04 | — | — | US | disclosed |
| EP-1342717-A1 | BENZIMIDAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-09-10 | — | — | EP | disclosed |