⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL535011 | 0.53 | — | — | |
| SCHEMBL18533018 | 0.51 | — | — | |
| SCHEMBL5576943 | 0.49 | — | — | |
| SCHEMBL592447 | 0.46 | MAOA (0.54) | — | |
| SCHEMBL14237646 | 0.46 | — | — | |
| SCHEMBL11956821 | 0.46 | — | — | |
| SCHEMBL1199564 | 0.40 | — | — | |
| Benzoquinone SCHEMBL31499513 | 0.40 | — | — | |
| SCHEMBL6364430 | 0.36 | — | — | |
| SCHEMBL72400 | 0.36 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2649078-A1 | 4-AZA-2, 3-DIDEHYDROPODOPHYLLOTOXIN COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF | Council of Scientific & Industrial Research (IN) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076942-A1 | 4-AZA-2, 3-DIDEHYDROPODOPHYLLOTOXIN COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2012-06-14 | — | — | WO | disclosed |