⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL250367 | 0.76 | TAAR1 (0.46) | — | |
| SCHEMBL2288138 | 0.74 | — | — | |
| SCHEMBL9669161 | 0.74 | — | — | |
| SCHEMBL9044558 | 0.74 | — | — | |
| SCHEMBL755097 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL29101971 | 0.74 | TAAR1 (0.45) | — | |
| SCHEMBL1523197 | 0.74 | — | — | |
| SCHEMBL4299008 | 0.74 | — | — | |
| SCHEMBL9669167 | 0.72 | CYP3A4 (0.38) | — | |
| SCHEMBL1533571 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130225591-A1 | IMIDOTHIAZOLE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2013-08-29 | — | — | US | disclosed |
| WO-2011037780-A1 | IMIDOTHIAZOLE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-03-31 | — | — | WO | disclosed |
| US-20100048555-A1 | IMIDAZOTHIAZOLE DERIVATIVES AS MARK INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2010-02-25 | — | — | US | disclosed |
| US-20100048555-A1 | IMIDAZOTHIAZOLE DERIVATIVES AS MARK INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2010-02-25 | — | — | US | 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 |
| WO-2008012571-A1 | IMIDAZOTHIAZOLE DERIVATIVES AS MARK INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2008-01-31 | — | — | WO | disclosed |