⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4246787 | 0.92 | — | — | |
| SCHEMBL87311 | 0.91 | ALDH1A1 (0.30) | — | |
| Fluoride SCHEMBL12076285 | 0.90 | — | — | |
| SCHEMBL19857303 | 0.89 | — | — | |
| Bromide SCHEMBL1045353 | 0.89 | ALDH1A1 (0.33) | — | |
| Water SCHEMBL15361762 | 0.89 | — | — | |
| Iodide SCHEMBL2341576 | 0.89 | ALDH1A1 (0.33) | — | |
| Bromide SCHEMBL30218911 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL572630 | 0.89 | — | — | |
| Fluoride Ion SCHEMBL12076413 | 0.85 | FDPS (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120237838-A1 | LITHIUM AIR BATTERY | SONY CORPORATION (JP) | 2012-09-20 | — | — | US | disclosed |
| EP-2495803-A1 | LITHIUM-AIR BATTERY | Sony Corporation (JP) | 2012-09-05 | — | — | EP | disclosed |