⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL441960 | 0.87 | — | — | |
| Water SCHEMBL4247633 | 0.75 | — | — | |
| Charcoal, Activated SCHEMBL7261539 | 0.75 | — | — | |
| Lithium Ion SCHEMBL8911729 | 0.75 | — | — | |
| SCHEMBL5013556 | 0.75 | — | — | |
| SCHEMBL23529290 | 0.71 | — | — | |
| SCHEMBL8454130 | 0.71 | — | — | |
| SCHEMBL7551858 | 0.71 | — | — | |
| SCHEMBL3927663 | 0.71 | — | — | |
| SCHEMBL3934651 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5086030-A | Calcined silica gel supporting with transition metals, their oxides and mixtures; one step hydrogenation catalysts | PHILLIPS PETROLEUM COMPANY (US) | 1992-02-04 | — | — | US | disclosed |
| US-4968818-A | CATALYTIC HYDROGENATION OF SUCCINIC OR MALEIC ANHYDRIDE | PHILLIPS PETROLEUM COMPANY (US) | 1990-11-06 | — | — | US | disclosed |