⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6643762 | 0.83 | — | — | |
| SCHEMBL1741943 | 0.83 | GRIN2D (0.35) | — | |
| SCHEMBL6640936 | 0.64 | — | — | |
| SCHEMBL26959998 | 0.59 | CYP3A4 (0.43) | — | |
| Hydrochloric Acid SCHEMBL26914890 | 0.58 | CYP3A4 (0.43) | — | |
| SCHEMBL7587086 | 0.57 | KEAP1 (0.48) | — | |
| SCHEMBL14476351 | 0.57 | MGLL (0.37) | — | |
| SCHEMBL17371697 | 0.56 | GPR84 (0.40) | — | |
| SCHEMBL22208991 | 0.56 | HCAR2 (0.39) | — | |
| SCHEMBL28247144 | 0.56 | ALDH1A1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1470125-A1 | AMINOPIPERIDINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2004-10-27 | — | — | EP | disclosed |
| WO-2003064421-A1 | AMINOPIPERIDINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2003-08-07 | — | — | WO | disclosed |