⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22861878 | 0.89 | — | — | |
| SCHEMBL9626175 | 0.88 | CES2 (0.33) | — | |
| SCHEMBL5167024 | 0.82 | — | — | |
| SCHEMBL26246874 | 0.82 | LPAR1 (0.31) | — | |
| SCHEMBL8527241 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL15289591 | 0.79 | — | — | |
| SCHEMBL1538923 | 0.79 | — | — | |
| SCHEMBL5340873 | 0.79 | — | — | |
| SCHEMBL21104606 | 0.78 | FFAR1 (0.30) | — | |
| SCHEMBL7849141 | 0.77 | CES2 (0.48) | — |
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-3398614-B1 | AGENT FOR PREVENTING AND/OR TREATING ALZHEIMER'S DISEASE | UNIV KYOTO (JP) | 2021-07-28 | — | — | EP | disclosed |