⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3827447 | 0.98 | — | — | |
| SCHEMBL13283377 | 0.75 | HLCS (0.32) | — | |
| SCHEMBL18616556 | 0.71 | — | — | |
| SCHEMBL14971182 | 0.68 | CHRNB2 (0.36) | — | |
| SCHEMBL1005944 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL20980365 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL20959501 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL15817820 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL15819417 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL6787474 | 0.66 | L3MBTL1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090312310-A1 | Imidazothiazole derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-12-17 | — | — | US | disclosed |
| US-20090312310-A1 | Imidazothiazole derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-12-17 | — | — | US | disclosed |
| US-20090312310-A1 | Imidazothiazole derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-12-17 | — | — | US | disclosed |
| EP-2103619-A1 | IMIDAZOTHIAZOLE DERIVATIVES | Daiichi Sankyo Company, Limited (JP) | 2009-09-23 | — | — | EP | disclosed |