⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31049269 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL31049503 | 0.72 | AR (0.32) | — | |
| SCHEMBL31049408 | 0.72 | IP6K1 (0.32) | — | |
| SCHEMBL31049371 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL31049293 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL31049388 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL31049273 | 0.63 | REN (0.33) | — | |
| SCHEMBL16065410 | 0.60 | ALDH1A1 (0.40) | — | |
| SCHEMBL17406960 | 0.60 | ALDH1A1 (0.40) | — | |
| SCHEMBL1857877 | 0.60 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118359627-A | MTA synergistic PRMT5 inhibitor compounds having a tetracyclic fused ring structure | 烨辉医药科技(上海)有限公司 | 2024-07-19 | — | — | CN | disclosed |