⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2045555 | 0.75 | — | — | |
| SCHEMBL9066143 | 0.67 | — | — | |
| SCHEMBL14812504 | 0.67 | CYP2D6 (0.36) | — | |
| SCHEMBL14812499 | 0.67 | CYP2D6 (0.36) | — | |
| SCHEMBL9998660 | 0.64 | ESR2 (0.32) | — | |
| SCHEMBL1072882 | 0.62 | — | — | |
| SCHEMBL7916711 | 0.60 | — | — | |
| SCHEMBL18730899 | 0.59 | — | — | |
| SCHEMBL6080709 | 0.59 | — | — | |
| SCHEMBL12976491 | 0.59 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117946098-A | Pyrimidine PLK1 inhibitor and preparation method and application thereof | 上海深势唯思科技有限责任公司 | 2024-04-30 | — | — | CN | disclosed |
| US-9108923-B2 | Compounds, compositions, and methods for cancer therapy | HOWARD HUGHES MEDICAL INSTITUTE (US) | 2015-08-18 | — | — | US | disclosed |
| US-9062048-B2 | Cyclohexyl-azetidinyl antagonists of CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2015-06-23 | — | — | US | disclosed |
| US-20140024639-A1 | Compounds, Compositions, and Methods for Cancer Therapy | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-01-23 | — | — | US | disclosed |
| US-8518969-B2 | Cyclohexyl-azetidinyl antagonists of CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2013-08-27 | — | — | US | disclosed |
| CN-101774875-A | Method for synthesizing piperlongumine compounds | OKEANOS TECH CO LTD | 2010-07-14 | — | — | CN | disclosed |