⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26555274 | 0.72 | — | — | |
| SCHEMBL13412883 | 0.70 | — | — | |
| SCHEMBL2629384 | 0.70 | — | — | |
| SCHEMBL9332278 | 0.70 | — | — | |
| SCHEMBL16677169 | 0.65 | — | — | |
| SCHEMBL16677170 | 0.59 | — | — | |
| SCHEMBL10272141 | 0.58 | — | — | |
| Hydrogen Peroxide SCHEMBL9817846 | 0.58 | — | — | |
| Hydrogen Peroxide SCHEMBL27936561 | 0.57 | HCAR2 (0.60) | — | |
| SCHEMBL16670211 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2620439-A1 | 8-pyrazinyl-S-spiropyrimidinetrione-oxazinoquinoline derivatives as antibacterial agents | PAH USA 15 LLC (US) | 2013-07-31 | — | — | EP | disclosed |