⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11539539 | 0.78 | — | — | |
| SCHEMBL11576111 | 0.74 | — | — | |
| SCHEMBL28444613 | 0.72 | — | — | |
| SCHEMBL311015 | 0.72 | — | — | |
| SCHEMBL11377367 | 0.71 | GSTP1 (0.30) | — | |
| SCHEMBL630894 | 0.69 | — | — | |
| SCHEMBL29162290 | 0.68 | — | — | |
| SCHEMBL6863642 | 0.68 | — | — | |
| SCHEMBL2316537 | 0.68 | CYP2D6 (0.33) | — | |
| SCHEMBL2708566 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2032563-A2 | BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK | SmithKline Beecham Corporation (US) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007143456-A2 | BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK | SMITHKLINE BEECHAM CORPORATION (US) | 2007-12-13 | — | — | WO | disclosed |