⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5774080 | 0.87 | GRM2 (0.30) | — | |
| SCHEMBL5773302 | 0.82 | MAPK1 (0.30) | — | |
| SCHEMBL5776140 | 0.80 | GSK3A (0.33) | — | |
| SCHEMBL6288862 | 0.77 | ALPL (0.32) | — | |
| SCHEMBL5776518 | 0.76 | OPRM1 (0.31) | — | |
| SCHEMBL6291852 | 0.76 | CNR2 (0.35) | — | |
| SCHEMBL6579675 | 0.75 | TYMS (0.32) | — | |
| SCHEMBL6291338 | 0.74 | — | — | |
| SCHEMBL5778216 | 0.74 | ICMT (0.35) | — | |
| SCHEMBL6288865 | 0.71 | TSHR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1406888-A1 | SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS | Grünenthal GmbH (DE) | 2004-04-14 | — | — | EP | claimed |
| WO-2003004483-A1 | SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS | Grünenthal GmbH (DE) | 2003-01-16 | — | — | WO | claimed |