⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8337142 | 0.98 | — | — | |
| SCHEMBL8071570 | 0.89 | LMNA (0.33) | — | |
| SCHEMBL8854144 | 0.89 | LMNA (0.33) | — | |
| SCHEMBL4391933 | 0.87 | — | — | |
| SCHEMBL4784789 | 0.81 | — | — | |
| SCHEMBL28728864 | 0.79 | — | — | |
| SCHEMBL8902530 | 0.79 | — | — | |
| SCHEMBL4340943 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL24292673 | 0.78 | MEN1 (0.44) | — | |
| SCHEMBL24292943 | 0.78 | MEN1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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-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 |