⚠ 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 | |
|---|---|---|---|---|
| Xenon SCHEMBL8630605 | 0.71 | — | — | |
| SCHEMBL28297339 | 0.71 | — | — | |
| Xenon Xe 127 SCHEMBL29365969 | 0.71 | — | — | |
| SCHEMBL19683 | 0.71 | — | — | |
| Xenon SCHEMBL16984 | 0.71 | — | — | |
| SCHEMBL28233380 | 0.71 | — | — | |
| SCHEMBL29519672 | 0.71 | — | — | |
| Xenon SCHEMBL2355509 | 0.71 | — | — | |
| Helium SCHEMBL7788662 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL1026444 | 0.71 | — | — |
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-5024801-A | Reactor core model update system | WESTINGHOUSE ELECTRIC CORP. (US) | 1991-06-18 | — | — | US | disclosed |
| EP-0396321-A2 | A nuclear reactor core model updating method | WESTINGHOUSE ELECTRIC CORPORATION (US) | 1990-11-07 | — | — | EP | disclosed |