⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7867836 | 0.79 | IDO1 (0.33) | — | |
| SCHEMBL11115657 | 0.74 | CA1 (0.58) | — | |
| SCHEMBL4460171 | 0.74 | MEN1 (0.50) | — | |
| SCHEMBL5848385 | 0.74 | NFE2L2 (0.41) | — | |
| SCHEMBL8495621 | 0.74 | ACHE (0.48) | — | |
| SCHEMBL2494427 | 0.74 | — | — | |
| SCHEMBL934950 | 0.72 | — | — | |
| SCHEMBL5407401 | 0.72 | — | — | |
| SCHEMBL5828013 | 0.72 | — | — | |
| SCHEMBL11698896 | 0.70 | ALDH1A1 (0.54) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109330-B2 | Purine inhibitors of cyclin dependent kinase 2 and IκB-α | CV THERAPEUTICS, INC. (US) | 2006-09-19 | — | — | US | disclosed |
| 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 |
| US-20050080261-A1 | Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha | LUM ROBERT T (US) | 2005-04-14 | — | — | US | disclosed |
| US-6794390-B2 | TREATING CELL PROLIFERATIVE DISORDERS SUCH AS RHEUMATOID ARTHRITIS, LUPUS, TYPE I DIABETES, MULTIPLE SCLEROSIS, CANCER, RESTENOSIS, HOST GRAFT DISEASE, GOUT, AND POLYCYSTIC KIDNEY DISEASE. | CV THERAPEUTICS, INC. | 2004-09-21 | — | — | US | disclosed |
| US-6790958-B2 | ANTIPROLIFERATIVE AGENTS; FUNGICIDES | LUM ROBERT T (US) | 2004-09-14 | — | — | US | disclosed |