⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4656234 | 1.00 | — | — | |
| SCHEMBL9807213 | 1.00 | — | — | |
| SCHEMBL9807214 | 1.00 | — | — | |
| SCHEMBL1947771 | 1.00 | — | — | |
| Acetic Acid SCHEMBL4126300 | 0.92 | APLNR (0.31) | — | |
| Acetic Acid SCHEMBL7676712 | 0.92 | APLNR (0.31) | — | |
| SCHEMBL9356674 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL16668279 | 0.76 | — | — | |
| SCHEMBL16668143 | 0.76 | — | — | |
| SCHEMBL9451089 | 0.76 | SPHK2 (0.30) | — |
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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4925652-A | NUCLEAR MAGNETIC RESONANCE | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-05-15 | — | — | US | claimed |
| EP-0133674-B1 | NITROXYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND DIAGNOSTIC AGENTS CONTAINING THEM | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-09-20 | — | — | EP | claimed |
| US-4845090-A | NUCLEAR MAGNETIC RESONANCE | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-07-04 | — | — | US | claimed |
| EP-0984000-B1 | PROCESS FOR PRODUCING AMIDE DERIVATIVES AND INTERMEDIATE COMPOUNDS | JAPAN TOBACCO INC (JP) | 2008-12-03 | — | — | EP | disclosed |
| EP-1163231-B1 | PERFLUOROALKYLAMIDE, THE PRODUCTION THEREOF AND THE USE THEREOF IN DIAGNOSTICS | SCHERING AG (DE) | 2005-10-05 | — | — | EP | disclosed |
| US-20050074409-A1 | Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-04-07 | — | — | US | disclosed |
| EP-0983999-B1 | PROCESS FOR PRODUCING AMIDE DERIVATIVES AND INTERMEDIATES | JAPAN TOBACCO INC (JP) | 2005-02-09 | — | — | EP | disclosed |
| US-6818203-B2 | COMPLEXES HAVE CRITICAL MICELLE FORMATION CONCENTRATION, HYDRODYNAMIC MICELLE DIAMETER, AND PROTON RELAXIVITY IN PLASMA CONTRAST MEDIA IN MR IMAGING | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-11-16 | — | — | US | disclosed |
| US-6596903-B2 | Ring opening 4-(2-amino-1-hydroxyethyl)oxazoline by reaction with organic mercaptan; stereospecific; human immunodeficiency virus protease inhibitors | JAPAN TOBACCO INC. (JP) | 2003-07-22 | — | — | US | disclosed |
| EP-1307236-A2 | USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-05-07 | — | — | EP | disclosed |
| US-20030072713-A1 | Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2003-04-17 | — | — | US | disclosed |
| WO-1987000757-A1 | NON-IONIC POLYOL CONTRAST MEDIA FROM IONIC CONTRAST MEDIA | COOK IMAGING, INC. (US) | 1987-02-12 | — | — | WO | disclosed |
| US-4547357-A | OPACIFIER FOR X-RAY DIAGNOSIS | SCHERING, AKTIENGESELLSCHAFT (DE) | 1985-10-15 | — | — | US | disclosed |
| EP-0033426-B1 | TRIIODOBENZOYL DERIVATIVES USEFUL AS NON-IONIC CONTRAST MEDIA AND AMINO-DIOXEPANE INTERMEDIATES FOR THEIR SYNTHESIS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1985-07-10 | — | — | EP | disclosed |
| EP-0133674-A1 | Nitroxyl compounds, process for their preparation and diagnostic agents containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1985-03-06 | — | — | EP | disclosed |
| US-4439613-A | Novel amino-dioxepane intermediates for the synthesis of new non-ionic contrast media | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1984-03-27 | — | — | US | disclosed |
| EP-0082803-A1 | N-hydroxyethylated 2,4,6-triiodoaminoisophthalic-acid bis-trihydroxybutyl amides, their preparation and X-ray contrast agents containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1983-06-29 | — | — | EP | disclosed |
| US-4389526-A | Intermediates and synthesis of 2-amino-2-deoxytetritols | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1983-06-21 | — | — | US | disclosed |
| US-4341756-A | Novel amino-dioxepane intermediates for the synthesis of new non-ionic contrast media | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1982-07-27 | — | — | US | disclosed |
| EP-0033426-A2 | Triiodobenzoyl derivatives useful as non-ionic contrast media and amino-dioxepane intermediates for their synthesis | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1981-08-12 | — | — | EP | disclosed |