⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10187652 | 0.57 | — | — | |
| SCHEMBL10187653 | 0.56 | — | — | |
| SCHEMBL13897178 | 0.50 | — | — | |
| SCHEMBL18294598 | 0.50 | — | — | |
| SCHEMBL8217507 | 0.49 | — | — | |
| SCHEMBL1548958 | 0.48 | — | — | |
| SCHEMBL15469873 | 0.48 | — | — | |
| SCHEMBL17366308 | 0.48 | — | — | |
| SCHEMBL18358908 | 0.48 | — | — | |
| SCHEMBL2710428 | 0.47 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014161516-A1 | OXA- AND THIA-DIAZOLES USEFUL IN THE TREATMENT OF TUBERCULOSIS | UNIVERZITA KARLOVA V PRAZE FARMACEUTICKA FAKULTA V HRADCI KRALOVE (CZ) | 2014-10-09 | — | — | WO | disclosed |