⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19521030 | 0.75 | — | — | |
| SCHEMBL1593227 | 0.71 | — | — | |
| SCHEMBL11449955 | 0.71 | — | — | |
| SCHEMBL10731739 | 0.71 | — | — | |
| SCHEMBL16543691 | 0.71 | TLR4 (0.30) | — | |
| SCHEMBL16543693 | 0.71 | TLR4 (0.30) | — | |
| SCHEMBL1744829 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL23845940 | 0.67 | — | — | |
| SCHEMBL8582513 | 0.67 | — | — | |
| SCHEMBL29899314 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1677599-A4 | HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2008-10-22 | — | — | EP | disclosed |
| EP-1677599-A1 | HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005041664-A1 | HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-05-12 | — | — | WO | disclosed |
| US-4908371-A | Pharmaceuticals | CIBA-GEIGY CORPORATION (US) | 1990-03-13 | — | — | US | disclosed |