⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5485864 | 0.92 | — | — | |
| SCHEMBL8656534 | 0.80 | — | — | |
| SCHEMBL8660533 | 0.80 | — | — | |
| SCHEMBL29166180 | 0.79 | — | — | |
| SCHEMBL3959116 | 0.79 | CA2 (0.43) | — | |
| SCHEMBL11070771 | 0.79 | CA2 (0.43) | — | |
| SCHEMBL22588954 | 0.79 | CA2 (0.43) | — | |
| SCHEMBL1256286 | 0.79 | CA2 (0.43) | — | |
| SCHEMBL22588994 | 0.79 | CA2 (0.43) | — | |
| SCHEMBL29166161 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070219379-A1 | Ionic Liquid and Process for Producing the Same | KANEKA CORPORATION (JP) | 2007-09-20 | — | — | US | disclosed |