⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL2183645 | 1.00 | — | — | |
| Fluoride SCHEMBL28607541 | 1.00 | — | — | |
| Fluoride SCHEMBL27562160 | 0.87 | — | — | |
| Fluoride SCHEMBL28124756 | 0.87 | — | — | |
| Fluoride SCHEMBL27593975 | 0.87 | — | — | |
| Fluoride SCHEMBL27463397 | 0.87 | — | — | |
| Fluoride SCHEMBL1485776 | 0.87 | — | — | |
| Fluoride SCHEMBL3737251 | 0.87 | — | — | |
| Fluoride SCHEMBL28993978 | 0.87 | — | — | |
| Fluoride SCHEMBL27972846 | 0.87 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5714654-A | CATALYTIC HYDROGENATION IN PRESENCE OF A PALLADIUM HYDROGENATION CATALYST | DAIKIN INDUSTRIES LTD. (JP) | 1998-02-03 | — | — | US | claimed |
| CN-107429161-B | Scintillator compositions, radiation detection devices, and related methods | 通用电气公司 | 2020-11-03 | — | — | CN | disclosed |
| CN-106636781-A | Method for producing aluminum-neodymium alloy based on aluminothermic reduction method | 柴霄渊 | 2017-05-10 | — | — | CN | disclosed |
| CN-205688039-U | A kind of Aluminium Industry gas wet method treating device | 焦作鑫万铝业有限公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-104087755-B | A kind of recovery method of neodymium iron boron waste material rare earth elements | ANHUI UNIVERSITY OF TECHNOLOGY (CN) | 2016-01-13 | — | — | CN | disclosed |
| CN-104087755-A | Recovery method of rare earth elements in NdFeB (neodymium iron boron) waste materials | UNIV ANHUI TECHNOLOGY | 2014-10-08 | — | — | CN | disclosed |