⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25299764 | 0.77 | PAX8 (0.33) | — | |
| SCHEMBL28809285 | 0.68 | ALOX15 (0.30) | — | |
| SCHEMBL25311994 | 0.64 | — | — | |
| SCHEMBL21417595 | 0.57 | ATP1A1 (0.34) | — | |
| SCHEMBL21417596 | 0.57 | — | — | |
| SCHEMBL16815198 | 0.55 | MAPT (0.53) | — | |
| SCHEMBL14560914 | 0.55 | MAPT (0.53) | — | |
| SCHEMBL1959323 | 0.54 | PAX8 (0.32) | — | |
| SCHEMBL3282787 | 0.54 | CSNK2A2 (0.30) | — | |
| SCHEMBL18405880 | 0.53 | PAX8 (0.40) | — |
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-20230238534-A1 | ACTIVE MATERIAL FOR SECONDARY BATTERIES, ELECTRODE FOR SECONDARY BATTERIES, SECONDARY BATTERY AND FLIGHT VEHICLE | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2023-07-27 | — | — | US | disclosed |