⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6232899 | 0.77 | — | — | |
| SCHEMBL12501343 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6236898 | 0.75 | KDR (0.43) | — | |
| SCHEMBL16104019 | 0.75 | — | — | |
| SCHEMBL8348553 | 0.75 | — | — | |
| SCHEMBL16037426 | 0.75 | — | — | |
| SCHEMBL12754630 | 0.72 | LIMK1 (0.37) | — | |
| SCHEMBL23956842 | 0.71 | LIMK1 (0.36) | — | |
| SCHEMBL16113553 | 0.69 | HCAR2 (0.52) | — | |
| SCHEMBL22314813 | 0.69 | CCNE1 (0.39) | — |
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-2227468-A1 | AMINOTHIAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009068467-A1 | AMINOTHIAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-04 | — | — | WO | disclosed |