⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23733619 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL23613195 | 0.75 | SIGMAR1 (0.33) | — | |
| SCHEMBL19080584 | 0.74 | — | — | |
| SCHEMBL28668579 | 0.73 | SLC6A4 (0.32) | — | |
| SCHEMBL23872551 | 0.73 | CYP2D6 (0.31) | — | |
| SCHEMBL15862901 | 0.73 | SLC6A4 (0.32) | — | |
| SCHEMBL22298143 | 0.71 | CNR1 (0.32) | — | |
| SCHEMBL15787330 | 0.70 | MEN1 (0.37) | — | |
| SCHEMBL15867236 | 0.69 | — | — | |
| SCHEMBL15745624 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022115620-A1 | 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | SAGE THERAPEUTICS, INC. (US) | 2022-06-02 | — | — | WO | disclosed |
| US-20040097522-A1 | Triazolopyrimidines | BAYER CROPSCIENCE AG (DE) | 2004-05-20 | — | — | US | disclosed |