⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18857319 | 0.70 | HCAR2 (0.32) | — | |
| SCHEMBL8230063 | 0.69 | — | — | |
| SCHEMBL18943863 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL13158845 | 0.69 | — | — | |
| SCHEMBL23967670 | 0.67 | — | — | |
| SCHEMBL20664622 | 0.67 | — | — | |
| SCHEMBL8289208 | 0.66 | HCAR2 (0.32) | — | |
| SCHEMBL20778238 | 0.64 | — | — | |
| SCHEMBL19478743 | 0.64 | — | — | |
| SCHEMBL19773480 | 0.64 | — | — |
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-2012081665-A1 | SUBSTANCE CAPABLE OF INHIBITING GLYCINE TRANSPORTER | 大正製薬株式会社 (JP) | 2012-06-21 | — | — | WO | disclosed |