⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7906127 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1508981 | 0.98 | ALPL (0.33) | — | |
| Hydrochloric Acid SCHEMBL1508934 | 0.98 | ALPL (0.33) | — | |
| SCHEMBL31632740 | 0.91 | ALPL (0.32) | — | |
| SCHEMBL9645744 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6889964 | 0.72 | ALPL (0.41) | — | |
| SCHEMBL7907761 | 0.70 | — | — | |
| SCHEMBL7921114 | 0.70 | — | — | |
| SCHEMBL7906123 | 0.70 | — | — | |
| SCHEMBL21260233 | 0.69 | — | — |
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 3 patents. 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 |
| WO-2010082612-A1 | IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE | 第一三共株式会社 (JP) | 2010-07-22 | — | — | WO | disclosed |
| WO-2009151069-A1 | IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIRO[2.5]OCTANE RING STRUCTURE | 第一三共株式会社 (JP) | 2009-12-17 | — | — | WO | disclosed |