⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7850876 | 0.83 | — | — | |
| SCHEMBL7850880 | 0.83 | — | — | |
| SCHEMBL7850877 | 0.83 | — | — | |
| SCHEMBL4624675 | 0.78 | — | — | |
| SCHEMBL17071961 | 0.68 | — | — | |
| SCHEMBL853177 | 0.67 | CCR5 (0.33) | — | |
| SCHEMBL24964881 | 0.66 | CCR5 (0.32) | — | |
| SCHEMBL14724902 | 0.63 | — | — | |
| SCHEMBL17080879 | 0.63 | PNMT (0.32) | — | |
| SCHEMBL11739353 | 0.60 | EPAS1 (0.32) | — |
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-0770083-A1 | PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES | BAYER AG (DE) | 1997-05-02 | — | — | EP | disclosed |
| WO-1996001829-A1 | PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-01-25 | — | — | WO | disclosed |