⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5491204 | 0.82 | APP (0.39) | — | |
| SCHEMBL5492362 | 0.77 | NQO2 (0.47) | — | |
| SCHEMBL5486540 | 0.72 | HTT (0.34) | — | |
| SCHEMBL5491185 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL5485823 | 0.69 | APP (0.39) | — | |
| SCHEMBL5493324 | 0.64 | NQO2 (0.45) | — | |
| SCHEMBL14433315 | 0.64 | MAPT (0.46) | — | |
| SCHEMBL5494996 | 0.63 | P4HTM (0.36) | — | |
| SCHEMBL3505298 | 0.62 | NQO2 (0.52) | — | |
| SCHEMBL5492376 | 0.62 | PRMT1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7256203-B2 | Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2007-08-14 | — | — | US | disclosed |
| US-20040122015-A1 | Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents | BOYKIN DAVID W (US) | 2004-06-24 | — | — | US | disclosed |