⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22343804 | 0.78 | — | — | |
| SCHEMBL21518458 | 0.73 | — | — | |
| SCHEMBL749123 | 0.73 | — | — | |
| SCHEMBL13850728 | 0.71 | — | — | |
| Dimethylamine SCHEMBL4602534 | 0.70 | HDAC3 (0.43) | — | |
| SCHEMBL13875921 | 0.70 | MCL1 (0.36) | — | |
| SCHEMBL606948 | 0.69 | — | — | |
| SCHEMBL6754730 | 0.69 | — | — | |
| SCHEMBL4864289 | 0.69 | — | — | |
| SCHEMBL3891234 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240239792-A1 | MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF | ASIA VISION LIMITED (CN) | 2024-07-18 | — | — | US | disclosed |