⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11710123 | 0.76 | — | — | |
| SCHEMBL1995889 | 0.71 | — | — | |
| SCHEMBL8907 | 0.71 | — | — | |
| SCHEMBL29012420 | 0.71 | — | — | |
| SCHEMBL19115167 | 0.67 | KDR (0.33) | — | |
| SCHEMBL3973109 | 0.66 | ELANE (0.33) | — | |
| SCHEMBL3635458 | 0.64 | — | — | |
| SCHEMBL17318005 | 0.56 | NUDT1 (0.46) | — | |
| SCHEMBL4407817 | 0.54 | — | — | |
| SCHEMBL29350921 | 0.53 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110337434-A | The method for preparing 2- cyanoimidazole compound | 阿达玛马克西姆有限公司 | 2019-10-15 | — | — | CN | claimed |
| CN-110337434-A | The method for preparing 2- cyanoimidazole compound | 阿达玛马克西姆有限公司 | 2019-10-15 | — | — | CN | disclosed |