⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4558716 | 0.85 | HPGD (0.32) | — | |
| SCHEMBL4557542 | 0.83 | HTT (0.38) | — | |
| SCHEMBL3935443 | 0.73 | HTT (0.40) | — | |
| SCHEMBL4558328 | 0.69 | JAK2 (0.44) | — | |
| SCHEMBL3940382 | 0.68 | HTT (0.36) | — | |
| SCHEMBL4557038 | 0.68 | — | — | |
| SCHEMBL3936759 | 0.67 | HTT (0.33) | — | |
| SCHEMBL13783366 | 0.67 | JAK2 (0.44) | — | |
| SCHEMBL4558705 | 0.67 | — | — | |
| SCHEMBL4558997 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1661896-A1 | PYRROLOPYRIMIDINETHIONE DERIVATIVE | Teijin Pharma Limited (JP) | 2006-05-31 | — | — | EP | disclosed |
| US-20050153992-A1 | Pyrrolopyrimidine thion derivatives | TEIJIN PHARMA LIMITED (JP) | 2005-07-14 | — | — | US | disclosed |