⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2092459 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL2096193 | 0.72 | CRHBP (0.38) | — | |
| SCHEMBL2092121 | 0.72 | — | — | |
| SCHEMBL16179106 | 0.69 | IDO1 (0.44) | — | |
| SCHEMBL7724216 | 0.66 | NPSR1 (0.35) | — | |
| SCHEMBL4570823 | 0.65 | HPGD (0.36) | — | |
| SCHEMBL15049563 | 0.65 | — | — | |
| SCHEMBL8728582 | 0.63 | IDO1 (0.50) | — | |
| SCHEMBL8728579 | 0.63 | RAPGEF4 (0.30) | — | |
| SCHEMBL13888666 | 0.60 | TACR1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100497345-C | 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis | OTSUKA PHARMA CO LTD (JP) | 2009-06-10 | — | — | CN | disclosed |
| CN-1878777-A | 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis | OTSUKA PHARMA CO LTD (JP) | 2006-12-13 | — | — | CN | disclosed |