⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14752147 | 0.80 | GBA1 (0.38) | — | |
| SCHEMBL824115 | 0.76 | — | — | |
| SCHEMBL14752132 | 0.75 | PIK3CD (0.34) | — | |
| SCHEMBL27298292 | 0.75 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL14752172 | 0.75 | PIK3CD (0.34) | — | |
| SCHEMBL25056296 | 0.74 | — | — | |
| SCHEMBL2600877 | 0.74 | PIK3CD (0.52) | — | |
| SCHEMBL17471238 | 0.72 | GBA1 (0.35) | — | |
| SCHEMBL16980432 | 0.72 | GBA1 (0.39) | — | |
| SCHEMBL10119954 | 0.72 | MAP3K12 (0.31) | — |
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-20230373952-A1 | LACTAM COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC | 2023-11-23 | — | — | US | disclosed |