⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9576805 | 0.55 | — | — | |
| SCHEMBL3073245 | 0.45 | — | — | |
| SCHEMBL7256902 | 0.45 | — | — | |
| SCHEMBL11491022 | 0.45 | ALDH1A1 (0.32) | — | |
| SCHEMBL1555131 | 0.42 | — | — | |
| SCHEMBL3370761 | 0.42 | — | — | |
| SCHEMBL37684 | 0.40 | — | — | |
| SCHEMBL1190870 | 0.37 | — | — | |
| SCHEMBL20546841 | 0.37 | ALDH1A1 (0.47) | — | |
| SCHEMBL3506509 | 0.37 | — | — |
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-5700448-A | Use of persistent free-radicals in magnetic resonance imaging | NYCOMED IMAGING AS (NO) | 1997-12-23 | — | — | US | disclosed |