⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6293497 | 1.00 | — | — | |
| SCHEMBL788857 | 0.82 | — | — | |
| SCHEMBL2375098 | 0.75 | SORD (0.31) | — | |
| SCHEMBL791940 | 0.73 | — | — | |
| SCHEMBL26917162 | 0.71 | — | — | |
| SCHEMBL28281798 | 0.71 | — | — | |
| SCHEMBL7352602 | 0.71 | — | — | |
| SCHEMBL154840 | 0.64 | — | — | |
| SCHEMBL341729 | 0.64 | — | — | |
| SCHEMBL666356 | 0.62 | — | — |
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-2393780-A1 | HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2011-12-14 | — | — | EP | claimed |
| WO-2010089119-A1 | HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2010-08-12 | — | — | WO | claimed |
| EP-2393780-A1 | HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010089119-A1 | HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2010-08-12 | — | — | WO | disclosed |