⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2784649 | 0.83 | — | — | |
| SCHEMBL1268408 | 0.81 | CA2 (0.43) | — | |
| SCHEMBL9513037 | 0.79 | CA2 (0.45) | — | |
| SCHEMBL6637834 | 0.78 | — | — | |
| SCHEMBL736692 | 0.73 | — | — | |
| SCHEMBL1362233 | 0.73 | — | — | |
| SCHEMBL2016323 | 0.71 | — | — | |
| SCHEMBL7869370 | 0.69 | — | — | |
| Butane SCHEMBL5131685 | 0.67 | — | — | |
| Sulfamide SCHEMBL9647921 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7485647-B2 | 2-aminoquinoline derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-02-03 | — | — | US | disclosed |
| US-20060287340-A1 | 2-Aminoquinoline derivatives | MSD K.K. (JP) | 2006-12-21 | — | — | US | disclosed |
| EP-1630162-A1 | 2-AMINOQUINOLINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-03-01 | — | — | EP | disclosed |