⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27814488 | 0.89 | — | — | |
| SCHEMBL1188050 | 0.87 | — | — | |
| SCHEMBL4752712 | 0.87 | — | — | |
| SCHEMBL5575664 | 0.87 | — | — | |
| SCHEMBL15466731 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL23923060 | 0.75 | — | — | |
| SCHEMBL14917421 | 0.75 | — | — | |
| SCHEMBL833692 | 0.75 | — | — | |
| SCHEMBL3794896 | 0.75 | — | — | |
| SCHEMBL4536577 | 0.75 | — | — |
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-20050145378-A1 | Hydrogen-storage container and method of occluding hydrogen | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2005-07-07 | — | — | US | disclosed |
| EP-1384940-A2 | Hydrogen-storage container and method of occluding hydrogen | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2004-01-28 | — | — | EP | disclosed |