⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2505546 | 0.79 | — | — | |
| SCHEMBL18792330 | 0.64 | — | — | |
| SCHEMBL6628824 | 0.61 | — | — | |
| SCHEMBL2499719 | 0.61 | — | — | |
| SCHEMBL917879 | 0.61 | — | — | |
| SCHEMBL18932499 | 0.61 | — | — | |
| SCHEMBL12520739 | 0.60 | — | — | |
| SCHEMBL3047023 | 0.59 | — | — | |
| SCHEMBL5861724 | 0.58 | — | — | |
| SCHEMBL13896136 | 0.57 | — | — |
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-1848506-A2 | PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES | Attenuon, LLC (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006089298-A2 | PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES | ATTENUON, LLC (US) | 2006-08-24 | — | — | WO | disclosed |