⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12459585 | 0.85 | — | — | |
| SCHEMBL13825759 | 0.85 | GLA (0.32) | — | |
| SCHEMBL8068602 | 0.84 | ALDH1A1 (0.40) | — | |
| SCHEMBL19418020 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL17188679 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL15684234 | 0.81 | HDAC3 (0.45) | — | |
| SCHEMBL13355355 | 0.81 | LTB4R (0.42) | — | |
| SCHEMBL8136342 | 0.80 | GAA (0.39) | — | |
| SCHEMBL8482393 | 0.80 | SIGMAR1 (0.33) | — | |
| SCHEMBL18101204 | 0.80 | PTPN1 (0.32) | — |
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-2016057660-A1 | PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | MITOBRIDGE, INC. (US) | 2016-04-14 | — | — | WO | disclosed |