⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9986709 | 0.91 | — | — | |
| SCHEMBL899775 | 0.89 | — | — | |
| SCHEMBL29538665 | 0.89 | — | — | |
| SCHEMBL723150 | 0.89 | — | — | |
| SCHEMBL38654739 | 0.80 | — | — | |
| SCHEMBL31115310 | 0.80 | — | — | |
| SCHEMBL29006524 | 0.80 | — | — | |
| SCHEMBL21404606 | 0.80 | — | — | |
| SCHEMBL28657604 | 0.80 | — | — | |
| SCHEMBL9986632 | 0.80 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0999893-B1 | NICKEL MOLYBDOTUNGSTATE HYDROTREATING CATALYSTS | EXXONMOBIL RES & ENG CO (US) | 2005-01-12 | — | — | EP | disclosed |