⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29229856 | 0.87 | MEN1 (0.39) | — | |
| SCHEMBL8172849 | 0.83 | MEN1 (0.41) | — | |
| SCHEMBL9486696 | 0.82 | MAPT (0.42) | — | |
| SCHEMBL13055388 | 0.82 | MAPT (0.42) | — | |
| SCHEMBL7000297 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL5497627 | 0.80 | TSHR (0.45) | — | |
| SCHEMBL9866004 | 0.80 | — | — | |
| SCHEMBL248893 | 0.80 | — | — | |
| SCHEMBL1434066 | 0.80 | — | — | |
| SCHEMBL4684975 | 0.79 | MEN1 (0.41) | — |
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-2016061393-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE | XENOPORT, INC. (US) | 2016-04-21 | — | — | WO | disclosed |