⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11189280 | 0.87 | — | — | |
| SCHEMBL725266 | 0.82 | — | — | |
| SCHEMBL8015002 | 0.82 | — | — | |
| SCHEMBL2290140 | 0.82 | — | — | |
| SCHEMBL3463050 | 0.82 | — | — | |
| SCHEMBL27548325 | 0.82 | — | — | |
| SCHEMBL22969 | 0.82 | — | — | |
| SCHEMBL11181006 | 0.78 | — | — | |
| SCHEMBL1893199 | 0.67 | — | — | |
| SCHEMBL3365152 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100135899-A1 | PROCESS FOR RELEASING HYDROGEN GAS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-06-03 | — | — | US | disclosed |
| WO-2008076076-A1 | PROCESS FOR RELEASING HYDROGEN GAS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-06-26 | — | — | WO | disclosed |