⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6950442 | 0.90 | — | — | |
| SCHEMBL6044002 | 0.73 | SLC18A3 (0.38) | — | |
| SCHEMBL6953373 | 0.69 | MEN1 (0.41) | — | |
| SCHEMBL6954026 | 0.65 | SLC18A3 (0.51) | — | |
| SCHEMBL16564353 | 0.65 | TYR (0.40) | — | |
| SCHEMBL6959529 | 0.62 | KMT2A (0.40) | — | |
| SCHEMBL6952186 | 0.62 | SLC6A3 (0.40) | — | |
| SCHEMBL6960338 | 0.62 | MEN1 (0.43) | — | |
| SCHEMBL4056563 | 0.62 | POLB (0.43) | — | |
| SCHEMBL6952629 | 0.62 | MEN1 (0.35) | — |
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-0863875-B1 | NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY | HOFFMANN LA ROCHE (CH) | 2003-06-04 | — | — | EP | disclosed |