⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27818826 | 0.79 | — | — | |
| SCHEMBL6762279 | 0.77 | — | — | |
| SCHEMBL8088336 | 0.77 | PARP1 (0.35) | — | |
| SCHEMBL11421318 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL3589000 | 0.75 | CYP3A4 (0.33) | — | |
| SCHEMBL216731 | 0.74 | — | — | |
| SCHEMBL64051 | 0.74 | GABRA1 (0.41) | — | |
| SCHEMBL27379450 | 0.74 | PNMT (0.35) | — | |
| SCHEMBL2723894 | 0.74 | CA2 (0.37) | — | |
| SCHEMBL455069 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002544262-A | — | — | 2002-12-24 | — | — | JP | claimed |
| EP-1178970-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS | Pharmacia Corporation (US) | 2002-02-13 | — | — | EP | claimed |
| WO-2000069832-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS | PHARMACIA CORPORATION (US) | 2000-11-23 | — | — | WO | claimed |
| US-6673772-B2 | INHIBITING THE ENZYMATIC ACTIVITY OF HIV PROTEASE | SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) | 2004-01-06 | — | — | US | disclosed |
| US-20020049165-A1 | Novel dipeptide compounds and their use as medicines | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2002-04-25 | — | — | US | disclosed |
| EP-1157997-A1 | NOVEL DIPEPTIDE COMPOUND AND MEDICINAL USE THEREOF | JAPAN ENERGY CORPORATION (JP) | 2001-11-28 | — | — | EP | disclosed |