⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460355 | 0.80 | HPRT1 (0.33) | — | |
| SCHEMBL14993000 | 0.69 | KDM4E (0.32) | — | |
| SCHEMBL3578261 | 0.69 | KDM4E (0.32) | — | |
| SCHEMBL8607899 | 0.69 | — | — | |
| 2-Aminopurine SCHEMBL8343847 | 0.68 | ALDH1A1 (0.41) | — | |
| 2-Aminopurine SCHEMBL20305128 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL8741740 | 0.68 | — | — | |
| SCHEMBL10597119 | 0.68 | — | — | |
| SCHEMBL434032 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL2640834 | 0.65 | APLNR (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0338887-B1 | Phosphonoalkylpurine derivatives | MERRELL DOW PHARMA (US) | 1993-12-08 | — | — | EP | disclosed |
| EP-0338887-B1 | Phosphonoalkylpurine derivatives | MERRELL DOW PHARMA (US) | 1993-12-08 | — | — | EP | disclosed |
| US-4988680-A | Phosphorylase inhibitors, immuno suppressants, parasiticides, antileukemia agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-29 | — | — | US | disclosed |
| US-4988680-A | Phosphorylase inhibitors, immuno suppressants, parasiticides, antileukemia agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-29 | — | — | US | disclosed |
| EP-0338887-A1 | Phosphonoalkylpurine derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-10-25 | — | — | EP | disclosed |
| EP-0338168-A1 | Phosphonoalkylpurine derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-10-25 | — | — | EP | disclosed |
| EP-0338887-A1 | Phosphonoalkylpurine derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-10-25 | — | — | EP | disclosed |