⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3669653 | 0.85 | POLB (0.35) | — | |
| SCHEMBL17692465 | 0.69 | PTK2 (0.39) | — | |
| SCHEMBL8637470 | 0.67 | POLB (0.35) | — | |
| SCHEMBL29153429 | 0.66 | LMNA (0.40) | — | |
| SCHEMBL15153043 | 0.65 | GAA (0.50) | — | |
| SCHEMBL8638991 | 0.65 | GRIA1 (0.56) | — | |
| SCHEMBL3668733 | 0.65 | GAA (0.42) | — | |
| SCHEMBL3672155 | 0.65 | NOS3 (0.32) | — | |
| SCHEMBL103249 | 0.62 | POLB (0.38) | — | |
| SCHEMBL27593883 | 0.62 | HTT (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0832074-A1 | AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |