⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3419520 | 0.82 | — | — | |
| SCHEMBL11208062 | 0.82 | — | — | |
| SCHEMBL28784195 | 0.79 | — | — | |
| 2,3-Dibromopropanol SCHEMBL10717953 | 0.72 | — | — | |
| 2,3-Dibromopropanol SCHEMBL288971 | 0.72 | — | — | |
| 2,3-Dibromopropanol SCHEMBL5312852 | 0.72 | — | — | |
| SCHEMBL3422037 | 0.69 | — | — | |
| SCHEMBL9034782 | 0.69 | — | — | |
| SCHEMBL219765 | 0.69 | — | — | |
| SCHEMBL19284194 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8535642-B2 | Contrast agents | GE HEALTHCARE AS (NO) | 2013-09-17 | — | — | US | disclosed |
| US-20120039815-A9 | CONTRAST AGENTS | GE HEALTHCARE AS (NO) | 2012-02-16 | — | — | US | disclosed |
| US-20110052504-A1 | CONTRAST AGENTS | GE HEALTHCARE AS (NO) | 2011-03-03 | — | — | US | disclosed |
| EP-2245003-A2 | CONTRAST AGENTS | GE Healthcare AS (NO) | 2010-11-03 | — | — | EP | disclosed |
| WO-2010060941-A2 | CONTRAST AGENTS | GE HEALTHCARE AS (NO) | 2010-06-03 | — | — | WO | disclosed |
| WO-2009106552-A2 | CONTRAST AGENTS | GE HEALTHCARE AS (NO) | 2009-09-03 | — | — | WO | disclosed |