⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30950412 | 0.68 | — | — | |
| SCHEMBL949065 | 0.65 | — | — | |
| SCHEMBL1445307 | 0.65 | — | — | |
| SCHEMBL8617407 | 0.65 | — | — | |
| SCHEMBL30615210 | 0.62 | — | — | |
| SCHEMBL28458537 | 0.61 | AURKA (0.50) | — | |
| SCHEMBL4155786 | 0.58 | — | — | |
| SCHEMBL2765333 | 0.57 | — | — | |
| SCHEMBL29082849 | 0.57 | KDM4E (0.30) | — | |
| SCHEMBL30177114 | 0.56 | TP53 (0.34) | — |
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-1636232-A2 | IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES | 4 AZA Bioscience nv (BE) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004104005-A2 | IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES | 4 AZA BIOSCIENCE NV (BE) | 2004-12-02 | — | — | WO | disclosed |