⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL174163 | 0.85 | — | — | |
| Bromide SCHEMBL28609992 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL547389 | 0.82 | — | — | |
| SCHEMBL30978336 | 0.82 | — | — | |
| Sulfur Dioxide SCHEMBL28907029 | 0.78 | GRIK1 (0.35) | — | |
| Chloromethane SCHEMBL27813211 | 0.77 | GRIK1 (0.33) | — | |
| Phosphoric Acid SCHEMBL5172101 | 0.76 | GRIK1 (0.39) | — | |
| Sulfuric Acid SCHEMBL5169847 | 0.76 | GRIK1 (0.39) | — | |
| Phosphoric Acid SCHEMBL7159378 | 0.76 | GRIK1 (0.39) | — | |
| Sulfuric Acid SCHEMBL28879549 | 0.76 | GRIK1 (0.39) | — |
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-20120040991-A1 | 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2012-02-16 | — | — | US | disclosed |