⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13664704 | 0.67 | SLC6A2 (0.32) | — | |
| SCHEMBL10021166 | 0.55 | — | — | |
| SCHEMBL13044912 | 0.54 | — | — | |
| SCHEMBL12286170 | 0.52 | — | — | |
| SCHEMBL10176911 | 0.50 | — | — | |
| SCHEMBL13958778 | 0.50 | — | — | |
| SCHEMBL4556397 | 0.49 | — | — | |
| SCHEMBL21257727 | 0.49 | OPRM1 (0.35) | — | |
| SCHEMBL12949962 | 0.48 | — | — | |
| SCHEMBL11939916 | 0.48 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009119528-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |