⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2209772 | 0.77 | TP53 (0.41) | — | |
| SCHEMBL2212333 | 0.77 | TP53 (0.41) | — | |
| SCHEMBL15049289 | 0.72 | — | — | |
| SCHEMBL5529361 | 0.72 | — | — | |
| SCHEMBL7326886 | 0.72 | — | — | |
| SCHEMBL2270636 | 0.72 | — | — | |
| SCHEMBL3084124 | 0.70 | — | — | |
| SCHEMBL1261902 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL20378696 | 0.70 | TP53 (0.36) | — | |
| Hydrochloric Acid SCHEMBL28543687 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7692030-B2 | Conjugates of artemisinin-related endoperoxides and hydrazone derivatives for the treatment of cancer | UNIVERSITY OF WASHINGTON (US) | 2010-04-06 | — | — | US | disclosed |
| US-20080103192-A1 | CONJUGATES OF ARTEMISININ-RELATED ENDOPEROXIDES AND HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER | WASHINGTON, UNIVERSITY OF (US) | 2008-05-01 | — | — | US | disclosed |
| WO-2008046109-A2 | CONJUGATES OF ARTEMISININ-RELATED ENDOPEROXIDES AND HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER | UNIVERSITY OF WASHINGTON (US) | 2008-04-17 | — | — | WO | disclosed |