⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5082367 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1253976 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL1253979 | 0.99 | — | — | |
| SCHEMBL1253186 | 0.90 | — | — | |
| SCHEMBL1253182 | 0.90 | — | — | |
| SCHEMBL5076295 | 0.86 | MEN1 (0.45) | — | |
| SCHEMBL5076291 | 0.86 | MEN1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL1251752 | 0.85 | MEN1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL1251747 | 0.85 | MEN1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL5079810 | 0.84 | HPGD (0.35) | — |
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-1575951-B1 | HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY | DEBIOPHARM INT SA (CH) | 2014-06-25 | — | — | EP | claimed |
| EP-1608377-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | AFFINIUM PHARM INC (CA) | 2008-10-01 | — | — | EP | claimed |