⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4557038 | 0.90 | — | — | |
| SCHEMBL4558705 | 0.88 | — | — | |
| SCHEMBL4558997 | 0.88 | — | — | |
| SCHEMBL4558742 | 0.88 | — | — | |
| SCHEMBL3940935 | 0.86 | HTT (0.33) | — | |
| SCHEMBL5921834 | 0.82 | — | — | |
| SCHEMBL4558343 | 0.82 | HPGD (0.32) | — | |
| SCHEMBL4558498 | 0.80 | PDPK1 (0.30) | — | |
| SCHEMBL13783373 | 0.80 | JAK2 (0.36) | — | |
| SCHEMBL3939357 | 0.78 | HTT (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1661897-B1 | PYRROLOPYRIMIDINONE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2013-12-04 | — | — | EP | disclosed |
| US-7557113-B2 | Substituted pyrrolo[3,2-d]pyrimidine derivatives | TEIJIN PHARMA LIMITED (JP) | 2009-07-07 | — | — | US | disclosed |
| EP-1661897-A1 | PYRROLOPYRIMIDINONE DERIVATIVE | Teijin Pharma Limited (JP) | 2006-05-31 | — | — | EP | disclosed |