⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL277361 | 0.71 | — | — | |
| SCHEMBL263431 | 0.68 | — | — | |
| SCHEMBL94284 | 0.68 | — | — | |
| SCHEMBL1982355 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL1985873 | 0.67 | — | — | |
| SCHEMBL6343065 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL1356446 | 0.67 | — | — | |
| SCHEMBL5933240 | 0.67 | — | — | |
| SCHEMBL750672 | 0.65 | — | — | |
| SCHEMBL8950813 | 0.65 | — | — |
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-1150982-B1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha | CV THERAPEUTICS INC (US) | 2005-10-12 | — | — | EP | disclosed |
| EP-1021186-B1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha | CV THERAPEUTICS INC (US) | 2005-06-29 | — | — | EP | disclosed |