⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9243199 | 0.89 | — | — | |
| SCHEMBL9243255 | 0.87 | — | — | |
| SCHEMBL2806825 | 0.87 | — | — | |
| SCHEMBL4336380 | 0.87 | — | — | |
| SCHEMBL31296244 | 0.87 | — | — | |
| SCHEMBL9240336 | 0.82 | — | — | |
| SCHEMBL28822108 | 0.82 | — | — | |
| SCHEMBL9780957 | 0.75 | — | — | |
| SCHEMBL6419882 | 0.75 | — | — | |
| SCHEMBL15467014 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0409794-B1 | Alloy preparation of hydrogen storage material | ENERGY CONVERSION DEVICES INC (US) | 1995-05-17 | — | — | EP | disclosed |
| EP-0409794-A1 | Alloy preparation of hydrogen storage material | ENERGY CONVERSION DEVICES, INC. (US) | 1991-01-23 | — | — | EP | disclosed |
| US-4948423-A | Vacuum induction melting in high density, high purity graphite crucible | ENERGY CONVERSION DEVICES, INC. (US) | 1990-08-14 | — | — | US | disclosed |