⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2079063 | 0.56 | — | — | |
| SCHEMBL2496873 | 0.51 | — | — | |
| SCHEMBL1756035 | 0.49 | — | — | |
| SCHEMBL20349157 | 0.48 | — | — | |
| SCHEMBL19386534 | 0.47 | — | — | |
| SCHEMBL320324 | 0.42 | — | — | |
| SCHEMBL3218811 | 0.42 | — | — | |
| SCHEMBL18649660 | 0.38 | — | — | |
| SCHEMBL4267248 | 0.33 | — | — | |
| SCHEMBL9583239 | 0.29 | CASP1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009152584-A1 | SYNTHESIS OF AGELADINE A AND ANALOGS THEREOF | MACQUARIE UNIVERSITY (AU) | 2009-12-23 | — | — | WO | disclosed |