⚠ 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 | — | — | |
| SCHEMBL6424649 | 0.89 | — | — | |
| SCHEMBL8825616 | 0.87 | — | — | |
| SCHEMBL4752712 | 0.87 | — | — | |
| SCHEMBL9680827 | 0.87 | — | — | |
| SCHEMBL5169301 | 0.87 | — | — | |
| SCHEMBL7201122 | 0.82 | — | — | |
| Water SCHEMBL23234080 | 0.75 | — | — | |
| SCHEMBL11181008 | 0.75 | — | — | |
| SCHEMBL6422063 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5028389-A | Hydrogen storage materials of Zr-Ti-Cr-Fe | KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1991-07-02 | — | — | US | disclosed |
| US-4656023-A | HYDROGEN STORAGE MATERIALS | KOPPERS COMPANY, INC. (US) | 1987-04-07 | — | — | US | disclosed |
| US-4656023-A | HYDROGEN STORAGE MATERIALS | KOPPERS COMPANY, INC. (US) | 1987-04-07 | — | — | US | disclosed |
| US-4556551-A | Hydrogen storage materials of zirconium-chromium-iron and titanium alloys characterized by ZrCr2 stoichiometry | KOPPERS COMPANY, INC. (US) | 1985-12-03 | — | — | US | disclosed |