⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5386683 | 0.98 | CES2 (0.30) | — | |
| SCHEMBL19049755 | 0.80 | THRB (0.39) | — | |
| SCHEMBL5375976 | 0.80 | THRB (0.39) | — | |
| SCHEMBL7939677 | 0.78 | THRB (0.35) | — | |
| SCHEMBL15925072 | 0.76 | CYP2D6 (0.31) | — | |
| SCHEMBL13907508 | 0.75 | APLNR (0.36) | — | |
| SCHEMBL8153043 | 0.74 | CA12 (0.35) | — | |
| SCHEMBL25182441 | 0.73 | APLNR (0.35) | — | |
| SCHEMBL20535618 | 0.73 | APLNR (0.35) | — | |
| SCHEMBL20535201 | 0.73 | APLNR (0.35) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7226578-B2 | Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis | SHERING AG (DE) | 2007-06-05 | — | — | US | disclosed |
| US-6916461-B2 | Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis | SCHERING AG (DE) | 2005-07-12 | — | — | US | disclosed |
| US-20050147563-A1 | Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-07-07 | — | — | US | disclosed |
| US-20030232012-A1 | Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis | SCHERING AG (DE) | 2003-12-18 | — | — | US | disclosed |
| US-6468502-B1 | PARAMAGNETIC MACROMOLECULES WITH HIGHER PROTON RELAXIVITY; LOWER DOSAGE AND INCREASED SIGNAL INTENSITY; DETECTING VASCULAR DISEASES; DIFFERENTIATING TISSUE BLOOD SUPPLY LEVELS; DISTINGUISHING MYOCARDIAL INFARCTION FROM ISCHEMIA | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-10-22 | — | — | US | disclosed |
| EP-0874645-B1 | PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THEIR USE IN NMR DIAGNOSTICS | SCHERING AG (DE) | 2002-04-03 | — | — | EP | disclosed |
| EP-0882010-B1 | PHARMACEUTICAL AGENTS CONTAINING PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THE USE THEREOF IN TUMOUR THERAPY AND INTERVENTIONAL RADIOLOGY | SCHERING AG (DE) | 2001-05-02 | — | — | EP | disclosed |
| US-6180113-B1 | USED IN TUMOR THERAPY AND INTERVENTIONAL RADIOLOGY | SCHERING AG (DE) | 2001-01-30 | — | — | US | disclosed |