⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5181959 | 0.85 | — | — | |
| SCHEMBL2439280 | 0.84 | STAT3 (0.30) | — | |
| SCHEMBL28449400 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4435884 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6515674 | 0.83 | — | — | |
| Iodide SCHEMBL9583490 | 0.83 | — | — | |
| SCHEMBL5143471 | 0.83 | STAT3 (0.44) | — | |
| Acetic Acid SCHEMBL9582014 | 0.79 | — | — | |
| Acetic Acid SCHEMBL9582356 | 0.79 | — | — | |
| Acetic Acid SCHEMBL9582773 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1641391-A4 | PORPHYRINS AND METALLOPORPHYRINS FOR INHIBITING HEME IRON UPTAKE | FRONTIER SCIENT INC (US) | 2007-05-30 | — | — | EP | disclosed |
| EP-1641391-A2 | PORPHYRINS AND METALLOPORPHYRINS FOR INHIBITING HEME IRON UPTAKE | Frontier Scientific, Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2004110377-A2 | PORPHYRINS AND METALLOPORPHYRINS FOR INHIBITING HEME IRON UPTAKE | FRONTIER SCIENTIFIC, INC. (US) | 2004-12-23 | — | — | WO | disclosed |