⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL725266 | 0.82 | — | — | |
| SCHEMBL285256 | 0.82 | — | — | |
| SCHEMBL11181009 | 0.78 | — | — | |
| SCHEMBL445238 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8183313 | 0.67 | — | — | |
| SCHEMBL25369538 | 0.67 | — | — | |
| SCHEMBL935899 | 0.67 | — | — | |
| Bromide SCHEMBL8183685 | 0.67 | — | — | |
| Iodide SCHEMBL8197526 | 0.67 | — | — | |
| SCHEMBL1984024 | 0.67 | — | — |
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-8093175-B2 | Mineral composition capable of trapping hydrogen, preparation method and uses | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2012-01-10 | — | — | US | disclosed |
| CN-101563289-B | Mineral composition capable of trapping hydrogen, method for preparing the same and uses thereof | COMMISSARIAT ENERGIE ATOMIQUE | 2011-06-22 | — | — | CN | disclosed |
| US-20100105550-A1 | Mineral Composition Capable of Trapping Hydrogen, Preparation Method and Uses | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2010-04-29 | — | — | US | disclosed |
| CN-101563289-A | Mineral composition capable of trapping hydrogen, method for preparing the same and uses thereof | COMMISSARIAT ENERGIE ATOMIQUE (FR) | 2009-10-21 | — | — | CN | disclosed |
| US-7329399-B2 | Hydrogen trapper compound, method for the production and uses thereof | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2008-02-12 | — | — | US | disclosed |
| US-20060043333-A1 | Hydrogen trapper compound, method for the production and uses thereof | ORANO CYCLE (FR) | 2006-03-02 | — | — | US | disclosed |