⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3945337 | 0.86 | CYP1A2 (0.42) | — | |
| SCHEMBL17868372 | 0.71 | — | — | |
| SCHEMBL867301 | 0.71 | — | — | |
| SCHEMBL1287882 | 0.69 | — | — | |
| SCHEMBL98083 | 0.69 | — | — | |
| SCHEMBL542372 | 0.69 | — | — | |
| SCHEMBL12285161 | 0.67 | — | — | |
| SCHEMBL4654400 | 0.67 | — | — | |
| SCHEMBL4203063 | 0.67 | — | — | |
| SCHEMBL20180861 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000947-B2 | 3,4,5-TRIHYDROXYPIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS AND FODDER CONTAINING THEM | BAYER AG (DE) | 1984-10-10 | — | — | EP | disclosed |
| EP-0000947-B1 | 3,4,5-TRIHYDROXYPIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS AND FODDER CONTAINING THEM | BAYER AG (DE) | 1981-01-14 | — | — | EP | disclosed |
| EP-0000947-A1 | 3,4,5-Trihydroxypiperidine derivatives, process for their preparation and medicaments and fodder containing them | BAYER AG (DE) | 1979-03-07 | — | — | EP | disclosed |