⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29425499 | 0.90 | NPSR1 (0.31) | — | |
| SCHEMBL27182635 | 0.87 | NPSR1 (0.34) | — | |
| SCHEMBL15380635 | 0.74 | — | — | |
| SCHEMBL10889384 | 0.67 | NPSR1 (0.33) | — | |
| SCHEMBL15380547 | 0.65 | NPSR1 (0.32) | — | |
| SCHEMBL23652906 | 0.64 | FKBP1A (0.38) | — | |
| SCHEMBL391107 | 0.61 | — | — | |
| SCHEMBL105 | 0.58 | — | — | |
| SCHEMBL25599 | 0.58 | CA2 (0.58) | — | |
| SCHEMBL15109974 | 0.58 | — | — |
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-2022018875-A1 | ARYLAMIDE DERIVATIVE-CONTAINING PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING CELL PROLIFERATION DISEASES | 中外製薬株式会社 | 2022-01-27 | — | — | WO | disclosed |