⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873292 | 0.87 | ADRB2 (0.31) | — | |
| SCHEMBL872445 | 0.85 | CES2 (0.35) | — | |
| SCHEMBL873956 | 0.81 | — | — | |
| SCHEMBL872039 | 0.71 | — | — | |
| SCHEMBL10696987 | 0.70 | CES1 (0.35) | — | |
| SCHEMBL28257256 | 0.69 | — | — | |
| SCHEMBL14649741 | 0.69 | — | — | |
| SCHEMBL1886828 | 0.66 | — | — | |
| SCHEMBL7734650 | 0.65 | — | — | |
| SCHEMBL4554131 | 0.65 | CES1 (0.30) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130202530-A1 | NOVEL RADIOTRACER | IMPERIAL COLLEGE (GB) | 2013-08-08 | — | — | US | claimed |
| EP-2619172-A2 | NOVEL RADIOTRACER | GE Healthcare UK Limited (GB) | 2013-07-31 | — | — | EP | claimed |
| WO-2012040138-A2 | NOVEL RADIOTRACER | GE HEALTHCARE LIMITED (GB) | 2012-03-29 | — | — | WO | claimed |
| US-20130202530-A1 | NOVEL RADIOTRACER | IMPERIAL COLLEGE (GB) | 2013-08-08 | — | — | US | disclosed |
| EP-2619172-A2 | NOVEL RADIOTRACER | GE Healthcare UK Limited (GB) | 2013-07-31 | — | — | EP | disclosed |
| EP-2619170-A2 | ISOTOPIC CARBON CHOLINE ANALOGS | GE Healthcare UK Limited (GB) | 2013-07-31 | — | — | EP | disclosed |
| EP-2619171-A2 | NOVEL PRECURSOR | GE Healthcare UK Limited (GB) | 2013-07-31 | — | — | EP | disclosed |
| US-20130183239-A1 | ISOTOPIC CARBON CHOLINE ANALOGS | IMPERIAL COLLEGE (GB) | 2013-07-18 | — | — | US | disclosed |
| US-20130178653-A1 | NOVEL PRECURSOR OF RADIOLABELLED CHOLINE ANALOG COMPOUNDS | IMPERIAL COLLEGE (GB) | 2013-07-11 | — | — | US | disclosed |
| WO-2012040151-A2 | ISOTOPIC CARBON CHOLINE ANALOGS | GE HEALTHCARE LIMITED (GB) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012040138-A2 | NOVEL RADIOTRACER | GE HEALTHCARE LIMITED (GB) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012040133-A2 | NOVEL PRECURSOR | GE HEALTHCARE LIMITED (GB) | 2012-03-29 | — | — | WO | disclosed |