⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25627483 | 0.78 | CYP1A2 (0.33) | — | |
| SCHEMBL25613071 | 0.76 | LTA4H (0.33) | — | |
| SCHEMBL25613054 | 0.73 | LTA4H (0.45) | — | |
| SCHEMBL25626880 | 0.66 | GRM4 (0.32) | — | |
| SCHEMBL25613068 | 0.65 | CYP3A4 (0.45) | — | |
| SCHEMBL25627063 | 0.65 | — | — | |
| SCHEMBL25624526 | 0.64 | CYP2C19 (0.40) | — | |
| SCHEMBL24005765 | 0.61 | LTA4H (0.48) | — | |
| SCHEMBL25613052 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL25613050 | 0.60 | FEN1 (0.39) | — |
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-20230159527-A1 | COMPOUNDS AS BCL-2 INHIBITORS | FOCHON BIOSCIENCES, LTD. (CN) | 2023-05-25 | — | — | US | disclosed |