⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9616140 | 0.73 | — | — | |
| SCHEMBL17130642 | 0.73 | — | — | |
| SCHEMBL9616141 | 0.73 | — | — | |
| SCHEMBL7814020 | 0.71 | — | — | |
| SCHEMBL1059082 | 0.71 | — | — | |
| SCHEMBL1059084 | 0.71 | — | — | |
| SCHEMBL17239087 | 0.67 | — | — | |
| SCHEMBL19418916 | 0.65 | AKT1 (0.33) | — | |
| SCHEMBL3826482 | 0.65 | — | — | |
| SCHEMBL6176340 | 0.65 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2781510-B1 | HIV INHIBITING 5,6-SUBSTITUTED PYRIMIDINES | JANSSEN SCIENCES IRELAND UC (IE) | 2016-12-14 | — | — | EP | disclosed |
| EP-2781510-A1 | HIV inhibiting 5,6-substituted pyrimidines | Janssen R&D Ireland (IE) | 2014-09-24 | — | — | EP | disclosed |
| EP-2114902-B1 | HIV INHIBITING 5,6-SUBSTITUTED PYRIMIDINES | JANSSEN R & D IRELAND (IE) | 2014-09-17 | — | — | EP | disclosed |
| US-8318736-B2 | HIV inhibiting 5,6-substituted pyrimidines | JANSSEN R&D IRELAND (IE) | 2012-11-27 | — | — | US | disclosed |
| US-20100261722-A1 | HIV INHIBITING 5, 6-SUBSTITUTED PYRIMIDINES | TIBOTEC PHARMACEUTICALS LTD. | 2010-10-14 | — | — | US | disclosed |
| EP-2114902-A2 | HIV INHIBITING 5,6-SUBSTITUTED PYRIMIDINES | Tibotec Pharmaceuticals (IE) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008080965-A2 | HIV INHIBITING 5,6-SUBSTITUTED PYRIMIDINES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-07-10 | — | — | WO | disclosed |