⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7913610 | 0.86 | KDM4E (0.49) | — | |
| SCHEMBL7921784 | 0.85 | ALDH1A1 (0.51) | — | |
| SCHEMBL7913596 | 0.83 | CCNB2 (0.60) | — | |
| SCHEMBL31237182 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL7921847 | 0.82 | KMT2A (0.49) | — | |
| SCHEMBL7925116 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL7925177 | 0.81 | ADORA2A (0.70) | — | |
| SCHEMBL8107995 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL7925155 | 0.78 | ALDH1A1 (0.51) | — | |
| SCHEMBL7913607 | 0.77 | LOX (0.49) | — |
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-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 |
| US-5994367-A | PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1999-11-30 | — | — | US | disclosed |