⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1458813 | 0.80 | KMT2A (0.41) | — | |
| SCHEMBL31662856 | 0.80 | KMT2A (0.41) | — | |
| SCHEMBL3765764 | 0.77 | — | — | |
| SCHEMBL31574357 | 0.72 | KMT2A (0.50) | — | |
| SCHEMBL3767684 | 0.71 | CSNK1A1 (0.41) | — | |
| SCHEMBL19868912 | 0.70 | PARP1 (0.35) | — | |
| SCHEMBL9689968 | 0.69 | KMT2A (0.42) | — | |
| SCHEMBL26259557 | 0.69 | IKBKE (0.32) | — | |
| SCHEMBL27207401 | 0.68 | TRIM24 (0.50) | — | |
| SCHEMBL4971142 | 0.68 | GRM5 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2193132-A2 | 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | AstraZeneca AB (SE) | 2010-06-09 | — | — | EP | disclosed |
| WO-2009004382-A2 | 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2009-01-08 | — | — | WO | disclosed |