⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10442825 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL9686906 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL10338067 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL1470118 | 0.69 | — | — | |
| SCHEMBL6901576 | 0.69 | — | — | |
| SCHEMBL16005200 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL12212860 | 0.66 | — | — | |
| SCHEMBL6451274 | 0.66 | — | — | |
| SCHEMBL12212851 | 0.66 | — | — | |
| SCHEMBL8687820 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2387315-A1 | IMIDAZO[1,2-a]PYRIDINES AND IMIDAZO[1,2-b]PYRIDAZINES AS MARK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2011-11-23 | — | — | EP | disclosed |
| WO-2010083145-A1 | IMIDAZO[1,2-a]PYRIDINES AND IMIDAZO[1,2-b]PYRIDAZINES AS MARK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-07-22 | — | — | WO | disclosed |