⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7128512 | 0.59 | — | — | |
| SCHEMBL7128502 | 0.59 | — | — | |
| SCHEMBL31142436 | 0.57 | — | — | |
| SCHEMBL9015736 | 0.56 | GLRA3 (0.44) | — | |
| SCHEMBL29462115 | 0.56 | FABP3 (0.30) | — | |
| SCHEMBL8930676 | 0.55 | PTPN1 (0.33) | — | |
| SCHEMBL7519849 | 0.55 | TSHR (0.50) | — | |
| SCHEMBL16756626 | 0.52 | — | — | |
| SCHEMBL1333749 | 0.50 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL436571 | 0.50 | GPR35 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832054-B1 | HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS | NYCOMED IMAGING AS (NO) | 2000-12-27 | — | — | EP | disclosed |
| US-6063360-A | USEFUL AS CONTRAST AGENT FOR OVERHAUSER MAGNETIC RESONACE IMAGING | NYCOMED IMAGING A/S (NO) | 2000-05-16 | — | — | US | disclosed |
| EP-0832054-A1 | HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS | NYCOMED IMAGING AS (NO) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996039367-A1 | HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS | NYCOMED IMAGING A/S (NO) | 1996-12-12 | — | — | WO | disclosed |
| US-5530140-A | Free radicals | NYCOMED IMAGING AS (NO) | 1996-06-25 | — | — | US | disclosed |