⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19961840 | 0.72 | — | — | |
| SCHEMBL19348615 | 0.61 | ACHE (0.39) | — | |
| SCHEMBL13609988 | 0.61 | TSHR (0.50) | — | |
| SCHEMBL9125684 | 0.55 | — | — | |
| SCHEMBL18916836 | 0.55 | — | — | |
| SCHEMBL23671129 | 0.55 | — | — | |
| SCHEMBL21170456 | 0.55 | — | — | |
| SCHEMBL98 | 0.53 | — | — | |
| SCHEMBL6704332 | 0.53 | TP53 (0.31) | — | |
| SCHEMBL21693848 | 0.52 | — | — |
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-2023277207-A1 | METHOD FOR PREPARING PHOSPHATE PROPARGYL ESTER COMPOUND USEFUL AS FLAME RETARDANT FOR LITHIUM ION BATTERY | 씨에스아이엠 주식회사 | 2023-01-05 | — | — | WO | disclosed |