⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8907441 | 0.71 | CHUK (0.31) | — | |
| SCHEMBL12359812 | 0.63 | CDK1 (0.47) | — | |
| SCHEMBL20351604 | 0.60 | PDK2 (0.30) | — | |
| SCHEMBL376361 | 0.57 | CYP1A2 (0.31) | — | |
| SCHEMBL275921 | 0.56 | PDE10A (0.41) | — | |
| SCHEMBL10220382 | 0.55 | PDE10A (0.32) | — | |
| SCHEMBL14805476 | 0.55 | CDK1 (0.35) | — | |
| SCHEMBL31514706 | 0.55 | CDK1 (0.35) | — | |
| SCHEMBL8909025 | 0.55 | CHUK (0.31) | — | |
| SCHEMBL23042855 | 0.54 | ADK (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5661148-A | ANTIHYPOXIC AGENT FOR RESPIRATORY SYSTEM DISORDER | TEIJIN LIMITED (JP) | 1997-08-26 | — | — | US | disclosed |
| EP-0514540-B1 | PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT | TEIJIN LTD (JP) | 1996-07-17 | — | — | EP | disclosed |
| EP-0514540-A1 | PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT | TEIJIN LIMITED (JP) | 1992-11-25 | — | — | EP | disclosed |