⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1004274 | 1.00 | — | — | |
| SCHEMBL1782545 | 1.00 | — | — | |
| SCHEMBL17062939 | 0.84 | — | — | |
| SCHEMBL1787244 | 0.84 | — | — | |
| SCHEMBL1787241 | 0.84 | — | — | |
| SCHEMBL1783716 | 0.82 | EP300 (0.48) | — | |
| SCHEMBL1783718 | 0.82 | EP300 (0.48) | — | |
| SCHEMBL1129943 | 0.80 | TSHR (0.52) | — | |
| SCHEMBL1130215 | 0.80 | TSHR (0.52) | — | |
| SCHEMBL1785247 | 0.80 | TSHR (0.52) | — |
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-2011011330-A2 | INHIBITORS OF D-AMINO ACID OXIDASE | SEPRACOR INC. (US) | 2011-01-27 | — | — | WO | disclosed |