⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6209985 | 0.80 | — | — | |
| SCHEMBL1163740 | 0.80 | LMNA (0.40) | — | |
| SCHEMBL16653859 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL29181850 | 0.73 | — | — | |
| SCHEMBL29395461 | 0.71 | ATG4B (0.33) | — | |
| SCHEMBL5987355 | 0.69 | — | — | |
| SCHEMBL4601152 | 0.67 | — | — | |
| SCHEMBL7110592 | 0.67 | — | — | |
| SCHEMBL8328792 | 0.64 | — | — | |
| SCHEMBL12276842 | 0.61 | GSK3A (0.41) | — |
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-1075261-A1 | MYCOBACTERIAL INHIBITORS | AstraZeneca AB (SE) | 2001-02-14 | — | — | EP | disclosed |
| WO-1999065483-A1 | MYCOBACTERIAL INHIBITORS | ASTRAZENECA AB (SE) | 1999-12-23 | — | — | WO | disclosed |