⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21061869 | 0.80 | — | — | |
| SCHEMBL15654273 | 0.80 | — | — | |
| SCHEMBL20940124 | 0.80 | — | — | |
| SCHEMBL12525913 | 0.80 | — | — | |
| SCHEMBL12527337 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL21222639 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL21222637 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL18987751 | 0.78 | — | — | |
| SCHEMBL19397921 | 0.74 | — | — | |
| SCHEMBL17548413 | 0.74 | — | — |
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-10406140-B2 | 5-substituted benzimidazole and 5-substituted azabenzimidazole derivative both having AMPK activation effect | SHIONOGI & CO., LTD. (JP) | 2019-09-10 | — | — | US | disclosed |
| EP-3180338-B1 | AZABENZIMIDAZOLE DERIVATIVES AS AMP PROTEIN KINASE AGONISTES | BOEHRINGER INGELHEIM INT (DE) | 2018-05-09 | — | — | EP | disclosed |