⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11754508 | 0.81 | — | — | |
| SCHEMBL22661435 | 0.80 | MCL1 (0.44) | — | |
| SCHEMBL8950826 | 0.76 | — | — | |
| SCHEMBL23011843 | 0.76 | KDM4E (0.39) | — | |
| SCHEMBL26075251 | 0.74 | CHRM1 (0.42) | — | |
| SCHEMBL26077176 | 0.74 | MCL1 (0.33) | — | |
| SCHEMBL8439782 | 0.73 | — | — | |
| SCHEMBL4165282 | 0.71 | MCL1 (0.38) | — | |
| SCHEMBL8950812 | 0.71 | — | — | |
| SCHEMBL1750112 | 0.67 | — | — |
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-11666577-B2 | MLKL inhibitors | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2023-06-06 | — | — | US | disclosed |
| CN-110573509-B | MLKL inhibitors | 北京生命科学研究所 | 2023-05-26 | — | — | CN | disclosed |
| WO-2018157800-A1 | MLKL INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-09-07 | — | — | WO | disclosed |