⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1228897 | 0.82 | — | — | |
| SCHEMBL13193962 | 0.81 | — | — | |
| SCHEMBL22686555 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL7017906 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL29209830 | 0.75 | — | — | |
| SCHEMBL12744065 | 0.75 | APP (0.31) | — | |
| SCHEMBL16510031 | 0.75 | — | — | |
| SCHEMBL17063577 | 0.74 | — | — | |
| SCHEMBL2277022 | 0.71 | — | — | |
| SCHEMBL1882578 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8293734-B2 | Nitroimidazooxazine and nitroimidazooxazole analogues and their uses | GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) | 2012-10-23 | — | — | US | disclosed |
| US-20110028466-A1 | NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES | GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) | 2011-02-03 | — | — | US | disclosed |