⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7136811 | 0.78 | — | — | |
| SCHEMBL7128502 | 0.70 | — | — | |
| SCHEMBL7128773 | 0.63 | — | — | |
| SCHEMBL8048291 | 0.59 | — | — | |
| SCHEMBL31142436 | 0.57 | — | — | |
| SCHEMBL6665862 | 0.53 | TP53 (0.38) | — | |
| SCHEMBL4311782 | 0.53 | TP53 (0.38) | — | |
| SCHEMBL2310819 | 0.53 | TP53 (0.38) | — | |
| SCHEMBL29462115 | 0.52 | FABP3 (0.30) | — | |
| SCHEMBL7065132 | 0.51 | GLRA3 (0.46) | — |
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-0966414-B1 | TRIARYLMETHYL FREE RADICALS AS IMAGE ENHANCING AGENTS | AMERSHAM HEALTH AS (NO) | 2003-06-04 | — | — | EP | disclosed |
| US-6063360-A | USEFUL AS CONTRAST AGENT FOR OVERHAUSER MAGNETIC RESONACE IMAGING | NYCOMED IMAGING A/S (NO) | 2000-05-16 | — | — | US | disclosed |
| US-6013810-A | FOR USE AS IMAGE ENHANCING AGENTS IN MRI, IN PARTICULAR IN OVERHAUSER ENHANCED MRI OF A SAMPLE FOR DETERMINING OXYGEN CONCENTRATION OF SAMPLE | NYCOMED IMAGING AS (NO) | 2000-01-11 | — | — | US | disclosed |