⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7468495 | 0.85 | GABRA1 (0.35) | — | |
| SCHEMBL5542028 | 0.78 | — | — | |
| SCHEMBL5320697 | 0.77 | TP53 (0.30) | — | |
| SCHEMBL7471980 | 0.76 | LIPG (0.33) | — | |
| SCHEMBL6319962 | 0.75 | ACHE (0.36) | — | |
| SCHEMBL20627378 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL7324061 | 0.70 | — | — | |
| SCHEMBL7468488 | 0.70 | — | — | |
| SCHEMBL6314598 | 0.68 | TRPA1 (0.34) | — | |
| SCHEMBL30828031 | 0.67 | TP53 (0.40) | — |
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-0650476-A1 | PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-05-03 | — | — | EP | disclosed |