⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16089 | 1.00 | — | — | |
| Acetone SCHEMBL497759 | 0.86 | LMNA (0.32) | — | |
| SCHEMBL17214811 | 0.78 | — | — | |
| SCHEMBL7654376 | 0.78 | — | — | |
| SCHEMBL8640879 | 0.78 | TSHR (0.48) | — | |
| SCHEMBL13157175 | 0.76 | — | — | |
| SCHEMBL1669222 | 0.76 | — | — | |
| SCHEMBL2742995 | 0.76 | — | — | |
| SCHEMBL14751716 | 0.76 | — | — | |
| SCHEMBL451822 | 0.73 | — | — |
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-2555803-B1 | PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI | BRACCO IMAGING SPA (IT) | 2018-09-12 | — | — | EP | claimed |
| US-9694090-B2 | Process for preparing hyperpolarized substrates and method for MRI | BRACCO IMAGING S.P.A. (IT) | 2017-07-04 | — | — | US | claimed |
| US-20130096420-A1 | Process For Preparing Hyperpolarized Substrates And Method For MRI | BRACCO IMAGING S.P.A. (IT) | 2013-04-18 | — | — | US | claimed |
| EP-2555803-A1 | PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI | Bracco Imaging S.p.A (IT) | 2013-02-13 | — | — | EP | claimed |
| WO-2011124672-A1 | PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI | BRACCO IMAGING SPA (IT) | 2011-10-13 | — | — | WO | claimed |
| EP-2555803-B1 | PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI | BRACCO IMAGING SPA (IT) | 2018-09-12 | — | — | EP | disclosed |
| US-9694090-B2 | Process for preparing hyperpolarized substrates and method for MRI | BRACCO IMAGING S.P.A. (IT) | 2017-07-04 | — | — | US | disclosed |
| US-20130096420-A1 | Process For Preparing Hyperpolarized Substrates And Method For MRI | BRACCO IMAGING S.P.A. (IT) | 2013-04-18 | — | — | US | disclosed |
| EP-2555803-A1 | PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI | Bracco Imaging S.p.A (IT) | 2013-02-13 | — | — | EP | disclosed |
| WO-2011124672-A1 | PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI | BRACCO IMAGING SPA (IT) | 2011-10-13 | — | — | WO | disclosed |