⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL98342 | 0.88 | — | — | |
| SCHEMBL568788 | 0.87 | — | — | |
| Bromide SCHEMBL11012723 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL29125446 | 0.86 | GABRA5 (0.36) | — | |
| Bromide SCHEMBL4486395 | 0.86 | GABRA5 (0.36) | — | |
| Hydrochloric Acid SCHEMBL3705988 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL5004461 | 0.86 | GABRA5 (0.36) | — | |
| Bromide SCHEMBL6988261 | 0.83 | GABRA1 (0.35) | — | |
| Bromide SCHEMBL6988258 | 0.83 | GABRA1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL28743318 | 0.83 | GABRA1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2748158-A1 | RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS | Takeda Pharmaceutical Company Limited (JP) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013027845-A1 | RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |
| EP-2323978-A1 | AMIDE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010018874-A1 | AMIDE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-02-18 | — | — | WO | disclosed |