⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL9248203 | 0.95 | — | — | |
| SCHEMBL11243871 | 0.67 | — | — | |
| SCHEMBL263794 | 0.67 | — | — | |
| SCHEMBL1059646 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL116740 | 0.65 | — | — | |
| SCHEMBL5005529 | 0.63 | — | — | |
| SCHEMBL2144119 | 0.63 | — | — | |
| SCHEMBL179958 | 0.63 | — | — | |
| SCHEMBL25231320 | 0.60 | — | — | |
| SCHEMBL1494263 | 0.60 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250158057-A1 | CATHODE HAVING DOPED METAL FLUORIDE CORE-SHELL PARTICLE AND BATTERIES COMPRISING THE SAME | U.S. DEPARTMENT OF ENERGY | 2025-05-15 | — | — | US | disclosed |
| US-20240413330-A1 | FUNCTIONALIZED PRE-LITHIATION PARTICLES FOR LITHIUM-ION BATTERIES | SILA NANOTECHNOLOGIES, INC. | 2024-12-12 | — | — | US | disclosed |
| EP-0434469-B1 | Hydrogenation catalyst composition and process for hydrogenating olefinically unsaturated polymer using the same | JAPAN SYNTHETIC RUBBER CO LTD (JP) | 1995-02-22 | — | — | EP | disclosed |
| US-5169905-A | Using a bis(cyclopentadienyl)transition metal compound and an alkali aluminum organic complex as catalyst | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1992-12-08 | — | — | US | disclosed |
| EP-0434469-A2 | Hydrogenation catalyst composition and process for hydrogenating olefinically unsaturated polymer using the same | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1991-06-26 | — | — | EP | disclosed |