⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2527203 | 1.00 | — | — | |
| SCHEMBL1509099 | 0.89 | — | — | |
| SCHEMBL1508812 | 0.87 | — | — | |
| SCHEMBL2486934 | 0.87 | — | — | |
| SCHEMBL2487215 | 0.85 | — | — | |
| SCHEMBL2491142 | 0.84 | — | — | |
| SCHEMBL1509085 | 0.84 | — | — | |
| SCHEMBL1509095 | 0.84 | — | — | |
| SCHEMBL2490404 | 0.83 | — | — | |
| SCHEMBL2492267 | 0.82 | EPHX1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2380892-A1 | IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE | Daiichi Sankyo Company, Limited (JP) | 2011-10-26 | — | — | EP | disclosed |