⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3239965 | 0.82 | ROCK2 (0.40) | — | |
| SCHEMBL8265422 | 0.72 | — | — | |
| SCHEMBL3241381 | 0.68 | HCRTR1 (0.36) | — | |
| SCHEMBL3240092 | 0.68 | SLC6A9 (0.47) | — | |
| SCHEMBL3237806 | 0.67 | ROCK2 (0.43) | — | |
| SCHEMBL8265699 | 0.67 | KMT2A (0.35) | — | |
| SCHEMBL3233196 | 0.65 | SLC6A9 (0.42) | — | |
| SCHEMBL8265406 | 0.63 | SCN9A (0.36) | — | |
| SCHEMBL3232907 | 0.61 | ALDH1A1 (0.39) | — | |
| SCHEMBL3240097 | 0.60 | SLC6A9 (0.46) | — |
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-2006067423-A1 | GLYCINE TRANSPORT INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-06-29 | — | — | WO | disclosed |