⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5540159 | 0.87 | — | — | |
| SCHEMBL226462 | 0.82 | — | — | |
| SCHEMBL1095350 | 0.82 | — | — | |
| SCHEMBL63757 | 0.82 | — | — | |
| SCHEMBL579118 | 0.82 | — | — | |
| SCHEMBL4409777 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL9560482 | 0.67 | — | — | |
| SCHEMBL717415 | 0.67 | — | — | |
| SCHEMBL9182450 | 0.67 | — | — | |
| SCHEMBL10423984 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7666388-B2 | Multi-metal-nitrogen compounds for use in hydrogen storage materials | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2010-02-23 | — | — | US | claimed |
| US-20070116623-A1 | Multi-metal-nitrogen compounds for use in hydrogen storage materials | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2007-05-24 | — | — | US | claimed |
| WO-2005030637-A1 | MULTI-METAL-NITROGEN COMPOUNDS FOR USE IN HYDROGEN STORAGE MATERIALS | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2005-04-07 | — | — | WO | claimed |