⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873957 | 0.77 | THRB (0.33) | — | |
| SCHEMBL872791 | 0.74 | PRKD3 (0.33) | — | |
| SCHEMBL872963 | 0.73 | PRKD3 (0.32) | — | |
| SCHEMBL1580327 | 0.71 | MEN1 (0.59) | — | |
| SCHEMBL7196471 | 0.71 | MEN1 (0.59) | — | |
| SCHEMBL873293 | 0.71 | PRKD3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL8956960 | 0.70 | MEN1 (0.57) | — | |
| SCHEMBL872303 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL872393 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL2755785 | 0.63 | LMNA (0.33) | — |
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-2619170-A2 | ISOTOPIC CARBON CHOLINE ANALOGS | GE Healthcare UK Limited (GB) | 2013-07-31 | — | — | EP | disclosed |
| EP-2619172-A2 | NOVEL RADIOTRACER | 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-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 |
| WO-2012040151-A2 | ISOTOPIC CARBON CHOLINE ANALOGS | GE HEALTHCARE LIMITED (GB) | 2012-03-29 | — | — | WO | disclosed |