⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6130268 | 0.75 | — | — | |
| SCHEMBL530290 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL2786505 | 0.75 | — | — | |
| SCHEMBL6036749 | 0.73 | — | — | |
| SCHEMBL19812525 | 0.73 | — | — | |
| SCHEMBL1352445 | 0.71 | GABRR1 (0.32) | — | |
| SCHEMBL31614118 | 0.71 | — | — | |
| SCHEMBL29141434 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL28031321 | 0.69 | FDPS (0.36) | — | |
| Isopropyl Alcohol SCHEMBL9131852 | 0.69 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2016046-B1 | CONTRAST AGENTS | GE HEALTHCARE AS (NO) | 2012-07-11 | — | — | EP | disclosed |
| US-8066974-B2 | Contrast agents | GE HEALTHCARE AS (NO) | 2011-11-29 | — | — | US | disclosed |
| US-20090136425-A1 | CONTRAST AGENTS | WYNN DUNCAN | 2009-05-28 | — | — | US | disclosed |