⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10634031 | 0.75 | — | — | |
| SCHEMBL2020205 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL2475313 | 0.73 | — | — | |
| SCHEMBL28871737 | 0.67 | — | — | |
| SCHEMBL3885051 | 0.64 | — | — | |
| SCHEMBL3883020 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL28145658 | 0.61 | — | — | |
| SCHEMBL2357161 | 0.60 | — | — | |
| SCHEMBL19616941 | 0.57 | — | — | |
| SCHEMBL29441814 | 0.57 | — | — |
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-2011075699-A2 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2011-06-23 | — | — | WO | disclosed |