⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6578231 | 0.80 | — | — | |
| SCHEMBL2031592 | 0.75 | DGAT1 (0.42) | — | |
| SCHEMBL1170858 | 0.73 | PRKCA (0.42) | — | |
| SCHEMBL10417600 | 0.73 | PRKCA (0.42) | — | |
| SCHEMBL8990557 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL21916498 | 0.72 | — | — | |
| SCHEMBL11047853 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL13502937 | 0.72 | DGAT1 (0.30) | — | |
| SCHEMBL25476980 | 0.71 | — | — | |
| SCHEMBL11446926 | 0.71 | — | — |
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-20040248941-A1 | Benzimidazone compound, process for producing the same, and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-12-09 | — | — | US | disclosed |
| EP-1437352-A1 | BENZIMIDAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2004-07-14 | — | — | EP | disclosed |