⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1081630 | 0.96 | ALDH1A1 (0.31) | — | |
| SCHEMBL43488 | 0.96 | ALDH1A1 (0.31) | — | |
| SCHEMBL1069199 | 0.96 | ALDH1A1 (0.31) | — | |
| SCHEMBL19751822 | 0.96 | ALDH1A1 (0.31) | — | |
| SCHEMBL20462167 | 0.96 | ALDH1A1 (0.31) | — | |
| SCHEMBL1069198 | 0.96 | ALDH1A1 (0.31) | — | |
| SCHEMBL11460874 | 0.91 | — | — | |
| SCHEMBL3692469 | 0.91 | — | — | |
| SCHEMBL23005617 | 0.89 | — | — | |
| SCHEMBL22899012 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024095797-A1 | ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, SECONDARY BATTERY, AND LITHIUM ION SECONDARY BATTERY | ダイキン工業株式会社 | 2024-05-10 | — | — | WO | disclosed |
| EP-2424913-B1 | CASTABLE POLYUREA COMPOSITIONS FOR GOLF BALL COVERS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2013-10-23 | — | — | EP | disclosed |
| US-20120035001-A1 | CASTABLE POLYUREA COMPOSITIONS FOR GOLF BALL COVERS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2012-02-09 | — | — | US | disclosed |