⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446215 | 0.93 | — | — | |
| SCHEMBL27596102 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL7525413 | 0.91 | — | — | |
| Trifluoroacetic Acid SCHEMBL28214388 | 0.80 | L3MBTL1 (0.34) | — | |
| SCHEMBL876240 | 0.77 | — | — | |
| SCHEMBL166053 | 0.76 | FOLH1 (0.32) | — | |
| SCHEMBL7008079 | 0.75 | — | — | |
| SCHEMBL14678292 | 0.72 | — | — | |
| SCHEMBL253526 | 0.72 | — | — | |
| SCHEMBL6781632 | 0.70 | — | — |
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-1998005651-A1 | NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYL QUINOXALINEDIONES | WARNER-LAMBERT COMPANY (US) | 1998-02-12 | — | — | WO | disclosed |