⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL378009 | 0.94 | — | — | |
| SCHEMBL1447629 | 0.92 | ALDH1A1 (0.35) | — | |
| SCHEMBL1448087 | 0.92 | ALDH1A1 (0.35) | — | |
| SCHEMBL1447953 | 0.88 | — | — | |
| SCHEMBL4630231 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL1448179 | 0.79 | SIGMAR1 (0.33) | — | |
| SCHEMBL28884633 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL651655 | 0.77 | GAA (0.34) | — | |
| SCHEMBL1582806 | 0.77 | GNAI3 (0.34) | — | |
| SCHEMBL6722997 | 0.77 | TSHR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3666757-A1 | PROCESS FOR PREPARING A PIPERIDIN-4-ONE | Karl-Franzens-Universität Graz (AT) | 2020-06-17 | — | — | EP | disclosed |
| EP-2301627-A1 | Novel antimalarial 3-azabicyclo[3.2.2]nonane derivatives | University of Graz (AT) | 2011-03-30 | — | — | EP | disclosed |