⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3817972 | 0.81 | FKBP5 (0.38) | — | |
| SCHEMBL25423722 | 0.75 | — | — | |
| SCHEMBL1706879 | 0.75 | — | — | |
| SCHEMBL6159526 | 0.73 | — | — | |
| SCHEMBL1345605 | 0.73 | DAO (0.35) | — | |
| SCHEMBL7265873 | 0.70 | — | — | |
| SCHEMBL4409393 | 0.69 | — | — | |
| SCHEMBL75926 | 0.69 | — | — | |
| SCHEMBL3060893 | 0.69 | — | — | |
| SCHEMBL456256 | 0.69 | DAO (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070173532-A1 | New Piperidine Antibiotics | ACTELION PHARMACEUTICALS LTD. (CH) | 2007-07-26 | — | — | US | disclosed |
| EP-1799674-A1 | NEW PIPERIDINE ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006038172-A1 | NEW PIPERIDINE ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-04-13 | — | — | WO | disclosed |