⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104305 | 0.80 | — | — | |
| SCHEMBL4741885 | 0.80 | — | — | |
| SCHEMBL6590316 | 0.80 | — | — | |
| Acetonitrile SCHEMBL3613982 | 0.75 | — | — | |
| SCHEMBL4558578 | 0.72 | — | — | |
| SCHEMBL27808905 | 0.69 | — | — | |
| Acetonitrile SCHEMBL2815212 | 0.68 | — | — | |
| Methoxymethane SCHEMBL346409 | 0.68 | — | — | |
| Water SCHEMBL2114572 | 0.64 | TSHR (0.50) | — | |
| Water SCHEMBL1359257 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4143911-A1 | LIQUID CATHODE FORMULATION FOR RECHARGEABLE METAL HALIDE BATTERY | International Business Machines Corporation (US) | 2023-03-08 | — | — | EP | disclosed |
| US-11515566-B2 | Liquid cathode formulation for rechargeable metal halide battery | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2022-11-29 | — | — | US | disclosed |
| WO-2021219320-A1 | LIQUID CATHODE FORMULATION FOR RECHARGEABLE METAL HALIDE BATTERY | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2021-11-04 | — | — | WO | disclosed |
| US-20210336295-A1 | LIQUID CATHODE FORMULATION FOR RECHARGEABLE METAL HALIDE BATTERY | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2021-10-28 | — | — | US | disclosed |