⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL2889159 | 0.97 | FKBP5 (0.32) | — | |
| SCHEMBL7571723 | 0.94 | — | — | |
| Hydrazine SCHEMBL5740194 | 0.92 | — | — | |
| Bromide SCHEMBL7631202 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL21519650 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL21519507 | 0.84 | — | — | |
| SCHEMBL11881052 | 0.69 | — | — | |
| SCHEMBL3611953 | 0.65 | — | — | |
| SCHEMBL8224750 | 0.65 | — | — | |
| SCHEMBL14317864 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007130824-A2 | FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS | ASTRAZENECA AB (SE) | 2007-11-15 | — | — | WO | disclosed |
| US-20070259860-A1 | MGluR5 modulators V | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | US | disclosed |
| US-20070259860-A1 | MGluR5 modulators V | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | US | disclosed |