⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18620528 | 0.72 | — | — | |
| SCHEMBL3913493 | 0.72 | — | — | |
| SCHEMBL19585329 | 0.72 | — | — | |
| SCHEMBL11396290 | 0.67 | — | — | |
| SCHEMBL24096969 | 0.61 | — | — | |
| Sulfuric Acid SCHEMBL14942201 | 0.57 | — | — | |
| Sulfuric Acid SCHEMBL9004606 | 0.57 | ALDH1A1 (0.35) | — | |
| SCHEMBL791726 | 0.56 | — | — | |
| SCHEMBL8766892 | 0.56 | TP53 (0.42) | — | |
| SCHEMBL98868 | 0.49 | — | — |
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-7501535-B2 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION (US) | 2009-03-10 | — | — | US | disclosed |
| US-20040138485-A1 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION | 2004-07-15 | — | — | US | disclosed |