⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14081363 | 0.92 | KDM4E (0.38) | — | |
| SCHEMBL8197869 | 0.92 | KDM4E (0.38) | — | |
| SCHEMBL12475847 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL2209103 | 0.79 | — | — | |
| SCHEMBL4447758 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL10123519 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL6885953 | 0.74 | — | — | |
| SCHEMBL4023693 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL10017853 | 0.74 | PARP1 (0.46) | — | |
| SCHEMBL13544696 | 0.72 | KDM4E (0.33) | — |
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-2017066428-A1 | BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS | H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) | 2017-04-20 | — | — | WO | disclosed |