⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7067472 | 0.73 | APAF1 (0.31) | — | |
| SCHEMBL5066992 | 0.61 | — | — | |
| SCHEMBL31119911 | 0.56 | — | — | |
| SCHEMBL7642819 | 0.53 | PPARA (0.40) | — | |
| SCHEMBL2990054 | 0.52 | — | — | |
| SCHEMBL31382802 | 0.51 | TDP1 (0.37) | — | |
| SCHEMBL9456371 | 0.51 | CA12 (0.39) | — | |
| SCHEMBL31261738 | 0.51 | MAPT (0.35) | — | |
| SCHEMBL4131175 | 0.51 | MAPT (0.35) | — | |
| SCHEMBL18674866 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5958930-A | TREATING CANCER, AND SECONDARY INFECTIONS CAUSED BY PNEUMOCYSTIS CARINII AND TOXOPLASMOSIS GONDII IN IMMUNOCOMPROMISED PATIENTS. | DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) | 1999-09-28 | — | — | US | claimed |
| 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 |
| US-5958930-A | TREATING CANCER, AND SECONDARY INFECTIONS CAUSED BY PNEUMOCYSTIS CARINII AND TOXOPLASMOSIS GONDII IN IMMUNOCOMPROMISED PATIENTS. | DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) | 1999-09-28 | — | — | US | disclosed |