⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5749911 | 0.85 | HTR1A (0.32) | — | |
| SCHEMBL5749910 | 0.85 | OPRM1 (0.31) | — | |
| SCHEMBL5750031 | 0.84 | OPRM1 (0.31) | — | |
| SCHEMBL5750075 | 0.82 | IRAK4 (0.32) | — | |
| SCHEMBL5750591 | 0.82 | OPRM1 (0.32) | — | |
| SCHEMBL5801156 | 0.81 | POLB (0.39) | — | |
| SCHEMBL5748533 | 0.80 | OPRM1 (0.30) | — | |
| SCHEMBL5749947 | 0.80 | SSTR4 (0.32) | — | |
| SCHEMBL5746008 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL5748603 | 0.69 | POLB (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1419155-B1 | PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2006-11-08 | — | — | EP | disclosed |
| US-20040198756-A1 | Medicaments | SMITHKLINE BEECHAM PLC (GB) | 2004-10-07 | — | — | US | disclosed |
| EP-1419155-A2 | PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2004-05-19 | — | — | EP | disclosed |
| WO-2003010138-A2 | PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2003-02-06 | — | — | WO | disclosed |