⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1304591 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL11205797 | 0.79 | — | — | |
| SCHEMBL13567593 | 0.73 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL29520700 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL5370217 | 0.71 | — | — | |
| SCHEMBL5380526 | 0.71 | — | — | |
| SCHEMBL261743 | 0.69 | — | — | |
| SCHEMBL3469053 | 0.69 | — | — | |
| SCHEMBL260430 | 0.69 | — | — | |
| SCHEMBL970836 | 0.69 | — | — |
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-20120237444-A1 | IODINE RADIOLABELLING METHOD | GE HEALTHCARE LIMITED (GB) | 2012-09-20 | — | — | US | disclosed |