⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29143308 | 0.93 | — | — | |
| SCHEMBL6578416 | 0.82 | — | — | |
| SCHEMBL30313871 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL14351517 | 0.79 | — | — | |
| SCHEMBL6580932 | 0.79 | KAT2B (0.35) | — | |
| SCHEMBL6941234 | 0.78 | EPHX1 (0.31) | — | |
| SCHEMBL27280420 | 0.76 | EPHX1 (0.35) | — | |
| SCHEMBL5497437 | 0.76 | EPHX1 (0.39) | — | |
| SCHEMBL14996233 | 0.75 | CYP1A2 (0.30) | — | |
| SCHEMBL654885 | 0.74 | EPHX1 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2331528-B1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | MERCK SHARP & DOHME (US) | 2020-05-27 | — | — | EP | disclosed |
| US-8859529-B2 | Compounds for the treatment of inflammatory disorders | MERCK SHARP & DOHME CORP. (US) | 2014-10-14 | — | — | US | disclosed |
| US-8859529-B2 | Compounds for the treatment of inflammatory disorders | MERCK SHARP & DOHME CORP. (US) | 2014-10-14 | — | — | US | disclosed |
| US-20110288054-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | SCHERING CORPORATION (US) | 2011-11-24 | — | — | US | disclosed |
| 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 |