⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9338614 | 0.79 | — | — | |
| SCHEMBL8018182 | 0.76 | — | — | |
| SCHEMBL24201150 | 0.76 | KDM4E (0.30) | — | |
| SCHEMBL7340031 | 0.74 | — | — | |
| SCHEMBL27529612 | 0.74 | SLC22A6 (0.38) | — | |
| SCHEMBL6711665 | 0.72 | — | — | |
| SCHEMBL8014753 | 0.72 | — | — | |
| SCHEMBL8014889 | 0.69 | CA2 (0.52) | — | |
| SCHEMBL28258096 | 0.69 | SLC7A5 (0.46) | — | |
| SCHEMBL19141257 | 0.69 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2902041-A1 | Composition and method for generating a metabolic profile using 13C-MR detection | GE Healthcare Limited (GB) | 2015-08-05 | — | — | EP | disclosed |
| US-20140328766-A1 | COMPOSITION AND METHOD FOR GENERATING A METABOLIC PROFILE USING 13C-MR DETECTION | GE HEALTHCARE LIMITED (GB) | 2014-11-06 | — | — | US | disclosed |
| US-20100310467-A1 | COMPOSITION AND METHOD FOR GENERATING A METABOLIC PROFILE USING 13C-MR DETECTION | GE HEALTHCARE LIMITED (GB) | 2010-12-09 | — | — | US | disclosed |
| EP-2222346-A1 | MR IMAGING AGENT, IMAGING MEDIUM AND METHODS OF IMAGING WHEREIN SUCH AN IMAGING MEDIUM IS USED | GE Healthcare Limited (GB) | 2010-09-01 | — | — | EP | disclosed |
| EP-2180902-A2 | IMAGING MEDIUM COMPRISING HYPERPOLARISED ¹³C-ACETATE AND USE THEREOF | GE Healthcare Limited (GB) | 2010-05-05 | — | — | EP | disclosed |
| WO-2009080739-A1 | MR IMAGING AGENT, IMAGING MEDIUM AND METHODS OF IMAGING WHEREIN SUCH AN IMAGING MEDIUM IS USED | GE HEALTHCARE LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009077575-A1 | COMPOSITION AND METHOD FOR GENERATING A METABOLIC PROFILE USING 13C-MR DETECTION | GE HEALTHCARE LIMITED (GB) | 2009-06-25 | — | — | WO | disclosed |
| EP-2072061-A1 | Composition and method for generating a metabolic profile using 13C-MR detection | GE Healthcare Limited (GB) | 2009-06-24 | — | — | EP | disclosed |
| WO-2009027388-A2 | IMAGING MEDIUM COMPRISING HYPERPOLARISED 13C-ACETATE AND USE THEREOF | GE HEALTHCARE LIMITED (GB) | 2009-03-05 | — | — | WO | disclosed |