⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2127624 | 0.92 | — | — | |
| SCHEMBL2128412 | 0.80 | GAA (0.31) | — | |
| SCHEMBL10104209 | 0.80 | GAA (0.31) | — | |
| SCHEMBL2121010 | 0.74 | XDH (0.31) | — | |
| SCHEMBL10104232 | 0.74 | GAA (0.32) | — | |
| SCHEMBL2127628 | 0.74 | GAA (0.32) | — | |
| SCHEMBL2135323 | 0.72 | — | — | |
| SCHEMBL2135847 | 0.71 | TP53 (0.32) | — | |
| SCHEMBL2132205 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL2131858 | 0.71 | MAOB (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120101124-A1 | 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | US | disclosed |