⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16213598 | 0.85 | ADORA2A (0.62) | — | |
| SCHEMBL7921812 | 0.85 | KDM4E (0.47) | — | |
| SCHEMBL7921785 | 0.84 | HPGD (0.59) | — | |
| SCHEMBL7921815 | 0.83 | — | — | |
| SCHEMBL7922300 | 0.81 | KDM4E (0.62) | — | |
| SCHEMBL7913593 | 0.80 | ADORA2A (0.72) | — | |
| SCHEMBL7913591 | 0.80 | MEN1 (0.53) | — | |
| SCHEMBL7922283 | 0.80 | ADORA2A (0.61) | — | |
| SCHEMBL7921845 | 0.80 | — | — | |
| SCHEMBL7913619 | 0.80 | ALDH1A1 (0.63) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6229016-B1 | PYRIDOPYRIMIDINE DERIVATIVES AS CHEMICAL INTERMEDIATES; POLYMERIZATION INHIBITION OF TUBULIN | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL | 2001-05-08 | — | — | US | disclosed |
| US-6071930-A | FOR INHIBITION OF MITOSIS OR TUMOR GROWTH | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2000-06-06 | — | — | US | disclosed |
| EP-0971921-A1 | 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS | The University of North Carolina at Chapel Hill (US) | 2000-01-19 | — | — | EP | disclosed |
| US-5994367-A | PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1999-11-30 | — | — | US | disclosed |
| WO-1998039332-A1 | 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1998-09-11 | — | — | WO | disclosed |