⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6306567 | 0.88 | DHFR (0.43) | — | |
| SCHEMBL6390075 | 0.84 | DHFR (0.44) | — | |
| SCHEMBL6312118 | 0.71 | DHFR (0.66) | — | |
| SCHEMBL5861670 | 0.71 | — | — | |
| SCHEMBL2915133 | 0.69 | DHFR (0.46) | — | |
| SCHEMBL6311630 | 0.68 | DHFR (0.58) | — | |
| Furo[2,3D]Pyrimidine Antifolate SCHEMBL29941418 | 0.68 | DHFR (0.72) | — | |
| SCHEMBL13833594 | 0.68 | DHFR (0.47) | — | |
| SCHEMBL13833595 | 0.66 | DHFR (0.46) | — | |
| SCHEMBL6310645 | 0.61 | DHFR (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6962920-B2 | Pyrimidine derivatives and methods of making and using these derivatives | DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) | 2005-11-08 | — | — | US | disclosed |
| US-20040039000-A1 | Novel pyrimidine derivatives and methods of making and using these derivatives | GANGJEE ALEEM (US) | 2004-02-26 | — | — | US | disclosed |
| US-6537999-B2 | Furopyrimidines and pyrrolopyrimidines; treating cancer, and secondary infections caused by Pneumocystis carinii and Toxoplasmosis gondii in immunocompromised patients. | DUQUESNE UNIVERSITY OF THE HOLY GHOST | 2003-03-25 | — | — | US | disclosed |
| US-20020052384-A1 | Novel pyrimidine derivatives and methods of making and using these derivatives | GANGJEE ALEEM (US) | 2002-05-02 | — | — | US | disclosed |