⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179926 | 0.91 | — | — | |
| SCHEMBL73458 | 0.78 | — | — | |
| Hexane SCHEMBL5498517 | 0.69 | — | — | |
| SCHEMBL95733 | 0.67 | TSHR (0.61) | — | |
| SCHEMBL7697182 | 0.67 | TSHR (0.61) | — | |
| SCHEMBL277225 | 0.67 | TSHR (0.61) | — | |
| SCHEMBL4399689 | 0.67 | TSHR (0.61) | — | |
| SCHEMBL14660138 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL4389498 | 0.67 | TSHR (0.61) | — | |
| SCHEMBL9206028 | 0.67 | TSHR (0.61) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0425571-B2 | NOVEL MAGNETIC RESONANCE IMAGING AGENTS | MALLINCKRODT MEDICAL INC (US) | 2000-09-20 | — | — | EP | claimed |
| EP-0425571-B1 | NOVEL MAGNETIC RESONANCE IMAGING AGENTS | MALLINCKRODT INC (US) | 1996-09-11 | — | — | EP | claimed |
| US-5137711-A | PARAMAGNETIC DTPA AND EDTA ALKOXYALKYLAMIDE COMPLEXES AS MRI AGENTS | MALLICKRODT MEDICAL, INC. (US) | 1992-08-11 | — | — | US | claimed |
| US-5130120-A | Diethylenetriaminepentaacetic acid or ethylenediamine tetraacetic acid for magnetic resonance imaging | MALLINCKRODT MEDICAL, INC. (US) | 1992-07-14 | — | — | US | claimed |
| EP-0425571-A1 | NOVEL MAGNETIC RESONANCE IMAGING AGENTS. | MALLINCKRODT INC (US) | 1991-05-08 | — | — | EP | claimed |
| WO-1990001024-A1 | NOVEL MAGNETIC RESONANCE IMAGING AGENTS | MALLINCKRODT, INC. (US) | 1990-02-08 | — | — | WO | claimed |
| US-4260746-A | Chemical intermediates useful to prepare cephalosporins | BEECHAM GROUP LIMITED (GB) | 1981-04-07 | — | — | US | claimed |
| US-4334065-A | Cephalosporin intermediates | ELI LILLY AND COMPANY (US) | 1982-06-08 | — | — | US | disclosed |
| US-4260746-A | Chemical intermediates useful to prepare cephalosporins | BEECHAM GROUP LIMITED (GB) | 1981-04-07 | — | — | US | disclosed |
| US-4202973-A | Ketenimine cephalosporins | BEECHAM GROUP LIMITED (GB) | 1980-05-13 | — | — | US | disclosed |