⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL863760 | 0.94 | — | — | |
| SCHEMBL1450260 | 0.94 | — | — | |
| SCHEMBL4576019 | 0.94 | — | — | |
| Fluoride Ion SCHEMBL863575 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL184055 | 0.94 | — | — | |
| Iodide SCHEMBL1674727 | 0.94 | — | — | |
| SCHEMBL863411 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL16583677 | 0.92 | — | — | |
| Bromide SCHEMBL8714881 | 0.92 | — | — | |
| Lithium Ion SCHEMBL11293697 | 0.92 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8193113-B2 | Hydrogen storage material and related processes | GENERAL ELECTRIC COMPANY (US) | 2012-06-05 | — | — | US | claimed |
| US-20100240528-A1 | HYDROGEN STORAGE MATERIAL AND RELATED PROCESSES | GENERAL ELECTRIC COMPANY (US) | 2010-09-23 | — | — | US | claimed |
| US-7754641-B2 | borohydride catalyst comprises bis(cyclopentadienyl) titanium borohydride; capable of repeated absorption-desorption cycles without significant loss of its hydrogen storage capabilities | GENERAL ELECTRIC COMPANY (US) | 2010-07-13 | — | — | US | claimed |
| US-20090209409-A1 | borohydride catalyst comprises bis(cyclopentadienyl) titanium borohydride; capable of repeated absorption-desorption cycles without significant loss of its hydrogen storage capabilities | GENERAL ELECTRIC COMPANY (US) | 2009-08-20 | — | — | US | claimed |
| US-8193113-B2 | Hydrogen storage material and related processes | GENERAL ELECTRIC COMPANY (US) | 2012-06-05 | — | — | US | disclosed |
| US-20100240528-A1 | HYDROGEN STORAGE MATERIAL AND RELATED PROCESSES | GENERAL ELECTRIC COMPANY (US) | 2010-09-23 | — | — | US | disclosed |
| US-7754641-B2 | borohydride catalyst comprises bis(cyclopentadienyl) titanium borohydride; capable of repeated absorption-desorption cycles without significant loss of its hydrogen storage capabilities | GENERAL ELECTRIC COMPANY (US) | 2010-07-13 | — | — | US | disclosed |
| US-20090209409-A1 | borohydride catalyst comprises bis(cyclopentadienyl) titanium borohydride; capable of repeated absorption-desorption cycles without significant loss of its hydrogen storage capabilities | GENERAL ELECTRIC COMPANY (US) | 2009-08-20 | — | — | US | disclosed |