⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22304469 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL22304470 | 0.79 | — | — | |
| SCHEMBL26075364 | 0.75 | — | — | |
| SCHEMBL1500279 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL4945264 | 0.70 | — | — | |
| SCHEMBL22735129 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL55353 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL5059682 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL10344679 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL16656334 | 0.69 | — | — |
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-20230307707-A1 | ELECTROLYTE FOR RECHARGEABLE LITHIUM BATTERY AND RECHARGEABLE LITHIUM BATTERY INCLUDING SAME | SAMSUNG SDI CO., LTD. (KR) | 2023-09-28 | — | — | US | disclosed |