⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6741062 | 1.00 | — | — | |
| SCHEMBL13178737 | 0.92 | — | — | |
| SCHEMBL9908321 | 0.92 | — | — | |
| SCHEMBL12109588 | 0.92 | — | — | |
| SCHEMBL11993897 | 0.68 | — | — | |
| SCHEMBL1071315 | 0.67 | — | — | |
| SCHEMBL29132747 | 0.61 | — | — | |
| SCHEMBL13271705 | 0.61 | — | — | |
| SCHEMBL6393719 | 0.61 | — | — | |
| SCHEMBL13146342 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040131551-A1 | Enhanced relaxivity monomeric and multimeric compounds | BRISTOL-MYERS SQUIBB COMPANY | 2004-07-08 | — | — | US | disclosed |
| US-6693190-B1 | TETRAAZACYCLODODECANE MACROCYCLE DERIVATIVES INCLUDING METAL COMPLEXES; MAGNETIC RESONANCE IMAGING AGENTS | BRACCO INTERNATIONAL B.V. (NL) | 2004-02-17 | — | — | US | disclosed |
| EP-0708761-B1 | ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS | BRACCO INT BV (NL) | 2002-08-14 | — | — | EP | disclosed |
| WO-1995031444-A1 | ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS | BRACCO INTERNATIONAL B.V. (NL) | 1995-11-23 | — | — | WO | disclosed |