⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16742326 | 0.64 | — | — | |
| SCHEMBL27552563 | 0.61 | PARP1 (0.35) | — | |
| SCHEMBL11903621 | 0.60 | ABCB1 (0.31) | — | |
| SCHEMBL16879869 | 0.60 | — | — | |
| SCHEMBL11434530 | 0.56 | GABRR1 (0.35) | — | |
| SCHEMBL27726692 | 0.54 | — | — | |
| SCHEMBL1743394 | 0.53 | — | — | |
| SCHEMBL27537648 | 0.53 | — | — | |
| SCHEMBL29768221 | 0.52 | — | — | |
| SCHEMBL14499069 | 0.49 | — | — |
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-2121626-A1 | BENZIMIDAZOLE DERIVATIVES | Pfizer Products Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008075196-A1 | BENZIMIDAZOLE DERIVATIVES | PFIZER PRODUCTS INC. (US) | 2008-06-26 | — | — | WO | disclosed |