⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31257314 | 0.84 | — | — | |
| SCHEMBL9082082 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL1717426 | 0.81 | NEK2 (0.44) | — | |
| SCHEMBL17941610 | 0.76 | — | — | |
| SCHEMBL473709 | 0.75 | — | — | |
| SCHEMBL31257354 | 0.72 | — | — | |
| SCHEMBL1796073 | 0.72 | — | — | |
| SCHEMBL31257423 | 0.72 | — | — | |
| SCHEMBL1793562 | 0.70 | — | — | |
| SCHEMBL31257378 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1984344-A2 | MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007089335-A2 | MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE | LEXICON PHARMACEUTICAL INC. (US) | 2007-08-09 | — | — | WO | disclosed |