⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5488262 | 1.00 | — | — | |
| SCHEMBL4946594 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL231220 | 0.70 | CHRM2 (0.42) | — | |
| SCHEMBL4947107 | 0.69 | — | — | |
| SCHEMBL4661176 | 0.69 | — | — | |
| SCHEMBL5484814 | 0.69 | — | — | |
| SCHEMBL5488258 | 0.68 | HPGD (0.49) | — | |
| SCHEMBL4659074 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL4630301 | 0.68 | POLB (0.40) | — | |
| SCHEMBL28235903 | 0.66 | LMNA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070037817-A1 | Acetylenic piperazines as metabotropic glutamate receptor antagonists | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | US | disclosed |