⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21326621 | 0.78 | — | — | |
| SCHEMBL21326655 | 0.75 | — | — | |
| SCHEMBL578124 | 0.71 | NOS1 (0.34) | — | |
| SCHEMBL26259352 | 0.67 | SLC6A3 (0.36) | — | |
| SCHEMBL5139295 | 0.65 | MEN1 (0.37) | — | |
| SCHEMBL23162812 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL13566383 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL11057987 | 0.63 | — | — | |
| SCHEMBL6978501 | 0.63 | — | — | |
| SCHEMBL4817769 | 0.63 | — | — |
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 3 patents. 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 |
| EP-2178876-A1 | SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL | AstraZeneca AB (SE) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009010801-A1 | SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL | ASTRAZENECA UK LIMITED (GB) | 2009-01-22 | — | — | WO | disclosed |