⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22039622 | 0.74 | — | — | |
| SCHEMBL21361791 | 0.72 | — | — | |
| SCHEMBL10344084 | 0.71 | — | — | |
| SCHEMBL10344086 | 0.71 | — | — | |
| SCHEMBL20342886 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL20106921 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL22167060 | 0.69 | — | — | |
| SCHEMBL22084553 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL13509381 | 0.69 | — | — | |
| SCHEMBL15834010 | 0.68 | — | — |
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-1848694-B1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | HOFFMANN LA ROCHE (CH) | 2009-11-25 | — | — | EP | disclosed |