⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10099624 | 0.91 | — | — | |
| SCHEMBL10099627 | 0.80 | — | — | |
| Cynaropicrin SCHEMBL1711811 | 0.70 | MAPT (0.42) | — | |
| Cynaropicrin SCHEMBL1711522 | 0.70 | MAPT (0.42) | — | |
| Cynaropicrin SCHEMBL349976 | 0.70 | MAPT (0.42) | — | |
| SCHEMBL10307519 | 0.69 | MAPT (0.43) | — | |
| SCHEMBL10307583 | 0.68 | MAPT (0.35) | — | |
| Aguerin B SCHEMBL29352650 | 0.68 | MAPT (0.54) | — | |
| SCHEMBL29488633 | 0.66 | MEN1 (0.33) | — | |
| SCHEMBL31092250 | 0.63 | MAPT (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9447112-B2 | Use of parthenolide derivatives as antileukemic and cytotoxic agents | UNIVERSITY OF KENTUCKY (US) | 2016-09-20 | — | — | US | disclosed |
| US-20150259356-A1 | USE OF PARTHENOLIDE DERIVATIVES AS ANTILEUKEMIC AND CYTOTOXIC AGENTS | UNIV KENTUCKY (US) | 2015-09-17 | — | — | US | disclosed |