⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83540 | 0.95 | — | — | |
| SCHEMBL11662058 | 0.90 | — | — | |
| SCHEMBL27035918 | 0.90 | — | — | |
| SCHEMBL2480102 | 0.67 | HIF1A (0.64) | — | |
| SCHEMBL35238 | 0.67 | — | — | |
| SCHEMBL5918577 | 0.67 | — | — | |
| SCHEMBL65061 | 0.67 | — | — | |
| SCHEMBL2471750 | 0.64 | — | — | |
| SCHEMBL10458830 | 0.63 | — | — | |
| SCHEMBL9858051 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6350431-B1 | LIGHT IMAGE CONTRAST AGENT WITH CHROMOPORES LINKED WITH POLYETHER | NYCOMED IMAGING AS (NO) | 2002-02-26 | — | — | US | disclosed |
| EP-0979103-A1 | COMPOUNDS | NYCOMED IMAGING AS (NO) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998048838-A1 | COMPOUNDS | NYCOMED IMAGING AS (NO) | 1998-11-05 | — | — | WO | disclosed |