⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3881008 | 0.94 | — | — | |
| SCHEMBL514741 | 0.92 | — | — | |
| SCHEMBL12669935 | 0.88 | — | — | |
| SCHEMBL17852222 | 0.72 | — | — | |
| SCHEMBL21099680 | 0.72 | — | — | |
| SCHEMBL16504101 | 0.72 | — | — | |
| SCHEMBL27753191 | 0.72 | — | — | |
| SCHEMBL29164954 | 0.71 | — | — | |
| SCHEMBL12801847 | 0.70 | HTT (0.32) | — | |
| SCHEMBL25583806 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105324366-A | Phenylimidazole derivative and therapeutic or prophylactic agent for inflammatory diseases and the like | NIPPON SODA CO | 2016-02-10 | — | — | CN | disclosed |
| CN-102112467-B | Pyrimidine derivative as kinase inhibitors | IRM LLC | 2014-04-30 | — | — | CN | disclosed |
| CN-102112467-A | Compounds and compositions as kinase inhibitors | IRM LLC | 2011-06-29 | — | — | CN | disclosed |