⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17001522 | 0.71 | — | — | |
| SCHEMBL1786206 | 0.67 | — | — | |
| SCHEMBL1786208 | 0.67 | — | — | |
| SCHEMBL3411941 | 0.65 | — | — | |
| SCHEMBL23093029 | 0.65 | — | — | |
| SCHEMBL16847731 | 0.65 | — | — | |
| SCHEMBL20981757 | 0.65 | — | — | |
| SCHEMBL20981755 | 0.65 | — | — | |
| SCHEMBL6726891 | 0.63 | — | — | |
| SCHEMBL19212934 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010082612-A1 | IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE | 第一三共株式会社 (JP) | 2010-07-22 | — | — | WO | disclosed |