⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179932 | 0.69 | CHKA (0.33) | — | |
| SCHEMBL3352088 | 0.69 | — | — | |
| SCHEMBL9082734 | 0.67 | USP2 (0.34) | — | |
| SCHEMBL9558323 | 0.64 | LMNA (0.33) | — | |
| SCHEMBL11401370 | 0.63 | ALOX5 (0.38) | — | |
| SCHEMBL31339576 | 0.61 | ADRB2 (0.37) | — | |
| SCHEMBL28486034 | 0.61 | ALDH1A1 (0.50) | — | |
| SCHEMBL28290847 | 0.60 | ADRB2 (0.53) | — | |
| SCHEMBL31247759 | 0.60 | LMNA (0.30) | — | |
| SCHEMBL16667080 | 0.60 | CYP1A2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230062861-A1 | PPARg MODULATORS AND METHODS OF USE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2023-03-02 | — | — | US | disclosed |
| 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 |