⚠ 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 | 0.82 | — | — | |
| SCHEMBL7128776 | 0.61 | — | — | |
| SCHEMBL4945757 | 0.53 | ALDH1A1 (0.33) | — | |
| SCHEMBL105383 | 0.53 | — | — | |
| SCHEMBL23032124 | 0.50 | HTT (0.41) | — | |
| SCHEMBL716280 | 0.49 | — | — | |
| SCHEMBL7519367 | 0.49 | — | — | |
| SCHEMBL2021913 | 0.49 | ALDH1A1 (0.36) | — | |
| SCHEMBL14982593 | 0.49 | — | — | |
| SCHEMBL3309508 | 0.49 | — | — |
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 |