⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22279883 | 0.81 | — | — | |
| SCHEMBL7142904 | 0.77 | — | — | |
| SCHEMBL8329292 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL20420724 | 0.76 | MAOA (0.33) | — | |
| SCHEMBL7718539 | 0.72 | MAOA (0.35) | — | |
| SCHEMBL1288280 | 0.72 | — | — | |
| SCHEMBL27283469 | 0.67 | SLC6A1 (0.34) | — | |
| SCHEMBL1052073 | 0.65 | — | — | |
| SCHEMBL17174420 | 0.65 | — | — | |
| SCHEMBL1099053 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5376358-A | Magnetic resonance imaging agents | MALLINCKRODT MEDICAL, INC. (US) | 1994-12-27 | — | — | US | disclosed |
| US-5376357-A | Magnetic resonance imaging agents | MALLINCKRODT MEDICAL, INC. (US) | 1994-12-27 | — | — | US | disclosed |
| EP-0490897-A1 | NOVEL MAGNETIC RESONANCE IMAGING AGENTS | MALLINCKRODT, INC. (US) | 1992-06-24 | — | — | EP | disclosed |
| US-5011925-A | Morpholinoamido EDTA derivatives | MALLINCKRODT, INC. (US) | 1991-04-30 | — | — | US | disclosed |
| WO-1991003261-A1 | NOVEL MAGNETIC RESONANCE IMAGING AGENTS | MALLINCKRODT, INC. (US) | 1991-03-21 | — | — | WO | disclosed |