⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1078901 | 0.89 | — | — | |
| SCHEMBL28022191 | 0.77 | — | — | |
| SCHEMBL28477002 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7106585 | 0.75 | — | — | |
| SCHEMBL8497621 | 0.71 | — | — | |
| SCHEMBL10962562 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL1899467 | 0.70 | — | — | |
| SCHEMBL11351014 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL16504413 | 0.69 | — | — | |
| SCHEMBL4200 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2349350-B1 | A PROCESS FOR THE PREPARATION OF AQUEOUS SOLUTIONS OF HYPERPOLARIZED MOLECULES | BRACCO IMAGING SPA (IT) | 2016-11-30 | — | — | EP | disclosed |
| US-8961933-B2 | Process for the preparation of aqueous solutions of hyperpolarized molecules | BRACCO IMAGING S.P.A. (IT) | 2015-02-24 | — | — | US | disclosed |
| EP-2349350-A1 | A PROCESS FOR THE PREPARATION OF AQUEOUS SOLUTIONS OF HYPERPOLARIZED MOLECULES | Bracco Imaging S.p.A (IT) | 2011-08-03 | — | — | EP | disclosed |
| US-20110178393-A1 | Process for the Preparation of Aqueous Solutions of Hyperpolarized Molecules | BRACCO IMAGING S.P.A. (IT) | 2011-07-21 | — | — | US | disclosed |
| WO-2010037771-A1 | A PROCESS FOR THE PREPARATION OF AQUEOUS SOLUTIONS OF HYPERPOLARIZED MOLECULES | BRACCO IMAGING SPA (IT) | 2010-04-08 | — | — | WO | disclosed |