⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6307851 | 0.82 | DHFR (0.57) | — | |
| SCHEMBL6311371 | 0.81 | DHFR (0.47) | — | |
| SCHEMBL4870674 | 0.76 | DHFR (0.43) | — | |
| SCHEMBL6390073 | 0.76 | DHFR (0.51) | — | |
| SCHEMBL6306589 | 0.75 | DHFR (0.57) | — | |
| SCHEMBL6311630 | 0.74 | DHFR (0.58) | — | |
| SCHEMBL13833595 | 0.70 | DHFR (0.46) | — | |
| SCHEMBL5861670 | 0.69 | — | — | |
| SCHEMBL6310645 | 0.69 | DHFR (0.47) | — | |
| SCHEMBL6307453 | 0.69 | DHFR (0.50) | — |
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 |