⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2214720 | 0.82 | TOP2A (0.46) | — | |
| SCHEMBL3070466 | 0.80 | TOP2A (0.44) | — | |
| SCHEMBL2215105 | 0.77 | TOP2A (0.52) | — | |
| SCHEMBL2213186 | 0.76 | TOP2A (0.55) | — | |
| SCHEMBL3062848 | 0.76 | TOP2A (0.59) | — | |
| SCHEMBL3073378 | 0.76 | TOP2A (0.49) | — | |
| SCHEMBL3072875 | 0.75 | TOP2A (0.56) | — | |
| SCHEMBL3062782 | 0.75 | TOP2A (0.46) | — | |
| SCHEMBL3057127 | 0.75 | TOP2A (0.56) | — | |
| SCHEMBL2214907 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110178064-A1 | SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL | ASTRAZENECA R&D (SE) | 2011-07-21 | — | — | US | disclosed |