⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10867933 | 0.86 | EPHX1 (0.59) | — | |
| SCHEMBL5166886 | 0.85 | EPHX1 (0.65) | — | |
| SCHEMBL28922786 | 0.83 | EPHX1 (0.69) | — | |
| SCHEMBL967994 | 0.83 | EPHX1 (0.69) | — | |
| SCHEMBL968781 | 0.80 | — | — | |
| SCHEMBL319971 | 0.79 | EPHX1 (0.71) | — | |
| SCHEMBL28961118 | 0.77 | EPHX1 (0.47) | — | |
| SCHEMBL7747419 | 0.76 | EPHX1 (0.56) | — | |
| Dimethylamine SCHEMBL10414531 | 0.74 | EPHX1 (0.65) | — | |
| SCHEMBL5779247 | 0.74 | EPHX1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7867992-B2 | such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses | AICURIS GMBH & CO. KG (DE) | 2011-01-11 | — | — | US | disclosed |
| US-20070293478-A1 | Substituted quinolones | BAYER HEALTHCARE AG (DE) | 2007-12-20 | — | — | US | disclosed |
| EP-1768973-B1 | SUBSTITUTED QUINOLONES | AICURIS GMBH & CO KG (DE) | 2007-12-05 | — | — | EP | disclosed |
| EP-1768973-A1 | SUBSTITUTED QUINOLONES | AiCuris GmbH & Co. KG (DE) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006008046-A1 | SUBSTITUTED QUINOLONES | AICURIS GMBH & CO. KG (DE) | 2006-01-26 | — | — | WO | disclosed |