⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64072 | 0.77 | CYP3A4 (0.33) | — | |
| SCHEMBL28920099 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL27960253 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL28013804 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL9627673 | 0.76 | — | — | |
| SCHEMBL28819045 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL28013221 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL1853410 | 0.74 | — | — | |
| SCHEMBL7555586 | 0.74 | — | — | |
| SCHEMBL1849999 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2644599-A1 | Method for preparing 1-substituted-4-nitroimidazole compound | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-10-02 | — | — | EP | disclosed |
| US-20100048555-A1 | IMIDAZOTHIAZOLE DERIVATIVES AS MARK INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2010-02-25 | — | — | US | disclosed |
| EP-2046803-A1 | IMIDAZOTHIAZOLE DERIVATIVES AS MARK INHIBITORS | Merck Sharp & Dohme Limited (GB) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008012571-A1 | IMIDAZOTHIAZOLE DERIVATIVES AS MARK INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2008-01-31 | — | — | WO | disclosed |