⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27113906 | 0.81 | HSD11B1 (0.31) | — | |
| SCHEMBL21151017 | 0.81 | — | — | |
| SCHEMBL23959169 | 0.77 | NPSR1 (0.45) | — | |
| SCHEMBL23959148 | 0.77 | — | — | |
| SCHEMBL23319884 | 0.76 | — | — | |
| SCHEMBL25833481 | 0.70 | TPI1 (0.38) | — | |
| SCHEMBL8496986 | 0.69 | MCL1 (0.36) | — | |
| SCHEMBL13544816 | 0.67 | MCL1 (0.34) | — | |
| SCHEMBL21094212 | 0.67 | MCL1 (0.34) | — | |
| SCHEMBL20224633 | 0.67 | MCL1 (0.34) | — |
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-2021216828-A1 | CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2021-10-28 | — | — | WO | disclosed |