⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL197249 | 0.94 | — | — | |
| Water SCHEMBL27503697 | 0.92 | — | — | |
| Carbon Monoxide SCHEMBL9861215 | 0.86 | — | — | |
| Carbon Dioxide SCHEMBL27503332 | 0.84 | — | — | |
| Naphthalene SCHEMBL28088105 | 0.80 | CYP2A6 (0.36) | — | |
| Formic Acid SCHEMBL29002350 | 0.80 | — | — | |
| SCHEMBL10890549 | 0.75 | — | — | |
| SCHEMBL5549501 | 0.74 | — | — | |
| SCHEMBL2896589 | 0.73 | — | — | |
| SCHEMBL3892047 | 0.71 | — | — |
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-5053379-A | Pure single-crystal magnesia having metallic nickel dispersed on surface; hydrogenation and alkylation catalysts | UBE INDUSTRIES, LTD. (JP) | 1991-10-01 | — | — | US | claimed |
| EP-0389158-A1 | High activity nickel catalyst and process for preparation thereof | UBE INDUSTRIES, LTD. (JP) | 1990-09-26 | — | — | EP | claimed |
| US-5053379-A | Pure single-crystal magnesia having metallic nickel dispersed on surface; hydrogenation and alkylation catalysts | UBE INDUSTRIES, LTD. (JP) | 1991-10-01 | — | — | US | disclosed |
| EP-0389158-A1 | High activity nickel catalyst and process for preparation thereof | UBE INDUSTRIES, LTD. (JP) | 1990-09-26 | — | — | EP | disclosed |