⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12659529 | 1.00 | — | — | |
| SCHEMBL15099811 | 0.75 | — | — | |
| SCHEMBL9977651 | 0.75 | — | — | |
| SCHEMBL14034818 | 0.73 | — | — | |
| SCHEMBL14547191 | 0.73 | — | — | |
| SCHEMBL13699017 | 0.73 | — | — | |
| SCHEMBL15099824 | 0.73 | — | — | |
| SCHEMBL18912155 | 0.70 | — | — | |
| SCHEMBL13662345 | 0.70 | — | — | |
| SCHEMBL12954934 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006056930-A2 | NOVEL 4 -AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-06-01 | — | — | WO | disclosed |
| WO-2005058822-A1 | SUBSTITUTED AMINO-CYCLOALKANES | ACTELION PHARMACEUTICALS LTD (CH) | 2005-06-30 | — | — | WO | disclosed |