⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL239867 | 0.95 | — | — | |
| Ether SCHEMBL28904981 | 0.90 | — | — | |
| Ether SCHEMBL1133979 | 0.90 | — | — | |
| Ether SCHEMBL872671 | 0.90 | — | — | |
| Ether SCHEMBL27305347 | 0.90 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL421875 | 0.90 | — | — | |
| Ether SCHEMBL27628547 | 0.90 | — | — | |
| Ether SCHEMBL6 | 0.89 | — | — | |
| Ether SCHEMBL21406 | 0.89 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL8160191 | 0.89 | ALDH1A1 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7214439-B2 | Triborohydride salts as hydrogen storage materials and preparation thereof | MILLENNIUM CELL, INC. (US) | 2007-05-08 | — | — | US | disclosed |
| WO-2005065118-A2 | TRIBOROHYDRIDE SALTS AS HYDROGEN STORAGE MATERIALS AND PREPARATION THEREOF | MILLENNIUM CELL, INC. (US) | 2005-07-21 | — | — | WO | disclosed |
| US-20050135996-A1 | Triborohydride salts as hydrogen storage materials and preparation thereof | MILLENNIUM CELL, INC. | 2005-06-23 | — | — | US | disclosed |