⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL977204 | 0.71 | — | — | |
| SCHEMBL25500 | 0.71 | — | — | |
| SCHEMBL1996129 | 0.64 | — | — | |
| SCHEMBL1996130 | 0.64 | — | — | |
| SCHEMBL11867214 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL40987 | 0.59 | — | — | |
| SCHEMBL5192370 | 0.58 | — | — | |
| SCHEMBL3160682 | 0.58 | — | — | |
| SCHEMBL2472761 | 0.58 | — | — | |
| SCHEMBL1241943 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117083747-A | Flame retardant for battery electrolyte | 雅宝公司 | 2023-11-17 | — | — | CN | claimed |
| CN-117083747-A | Flame retardant for battery electrolyte | 雅宝公司 | 2023-11-17 | — | — | CN | disclosed |
| WO-2020230480-A1 | POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT, AND COMPOUND | DIC株式会社 | 2020-11-19 | — | — | WO | disclosed |