⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4810406 | 0.74 | GAA (0.44) | — | |
| SCHEMBL2437914 | 0.73 | — | — | |
| SCHEMBL972466 | 0.69 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL2481030 | 0.68 | — | — | |
| SCHEMBL2441506 | 0.67 | — | — | |
| SCHEMBL53264 | 0.66 | — | — | |
| SCHEMBL8122170 | 0.63 | — | — | |
| SCHEMBL21645374 | 0.62 | — | — | |
| SCHEMBL7079638 | 0.60 | — | — | |
| SCHEMBL29044436 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104583218-B | Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation | 百时美施贵宝公司 | 2018-04-24 | — | — | CN | disclosed |