⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13183720 | 0.70 | NPC1 (0.31) | — | |
| SCHEMBL2095025 | 0.66 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL2093140 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL2090185 | 0.66 | — | — | |
| SCHEMBL12641989 | 0.64 | — | — | |
| SCHEMBL28370368 | 0.63 | — | — | |
| SCHEMBL2095837 | 0.62 | — | — | |
| SCHEMBL11784002 | 0.62 | MEN1 (0.32) | — | |
| SCHEMBL28370371 | 0.61 | — | — | |
| SCHEMBL57600 | 0.61 | TSHR (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1678185-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042542-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-05-12 | — | — | WO | disclosed |