⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23265771 | 0.85 | — | — | |
| SCHEMBL2077537 | 0.85 | — | — | |
| SCHEMBL25391459 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL23245470 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL23245472 | 0.82 | — | — | |
| SCHEMBL18636647 | 0.81 | — | — | |
| SCHEMBL6320194 | 0.79 | GBA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7291186 | 0.78 | GBA1 (0.37) | — | |
| SCHEMBL19289332 | 0.76 | — | — | |
| SCHEMBL24200540 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11918984-B2 | Annulation catalysts via direct C—H bond amination | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2024-03-05 | — | — | US | disclosed |
| US-20220016613-A1 | NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2022-01-20 | — | — | US | disclosed |
| WO-2020061300-A1 | NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-03-26 | — | — | WO | disclosed |
| EP-2649052-B1 | 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION | BOEHRINGER INGELHEIM INT (DE) | 2014-10-22 | — | — | EP | disclosed |
| US-8466186-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-18 | — | — | US | disclosed |
| US-20120309738-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-06 | — | — | US | disclosed |
| WO-2012076672-A1 | 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-14 | — | — | WO | disclosed |