⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17087801 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL16156279 | 0.74 | — | — | |
| SCHEMBL12667536 | 0.73 | TDP1 (0.35) | — | |
| SCHEMBL12518439 | 0.73 | TDP1 (0.35) | — | |
| SCHEMBL12326749 | 0.73 | — | — | |
| SCHEMBL15214380 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL17358713 | 0.71 | TSHR (0.42) | — | |
| SCHEMBL19234567 | 0.71 | GABRP (0.33) | — | |
| SCHEMBL15425123 | 0.70 | — | — | |
| SCHEMBL12901758 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2459570-B1 | NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES | GLOBAL ALLIANCE FOR TB DRUG DEV (US) | 2014-12-24 | — | — | EP | disclosed |
| 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 |