⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9232082 | 0.75 | — | — | |
| SCHEMBL6826861 | 0.75 | — | — | |
| SCHEMBL1521337 | 0.71 | — | — | |
| SCHEMBL121010 | 0.71 | — | — | |
| SCHEMBL11398058 | 0.71 | — | — | |
| SCHEMBL8309232 | 0.71 | — | — | |
| SCHEMBL10504067 | 0.71 | — | — | |
| SCHEMBL11189624 | 0.71 | — | — | |
| SCHEMBL4067490 | 0.69 | — | — | |
| SCHEMBL1017339 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4806675-A | CATALYTIC ESTERIFICATION WITH HYDROXYALKANOIC AND THIOALKANOIC ACIDS; HEAT AND OXIDATION RESISTANCE | MALLINCKRODT, INC. (US) | 1989-02-21 | — | — | US | disclosed |
| US-4794138-A | STABILIZERS OF ORGANIC MATERIAL NORMALLY SUSCEPTIBLE TO OXIDATIVE AND/OR THERMAL DETERIORATION | MALLINCKRODT, INC. (US) | 1988-12-27 | — | — | US | disclosed |
| US-4772741-A | STABILIZERS FOR POLYMERS | MILLINCKRODT, INC. (US) | 1988-09-20 | — | — | US | disclosed |
| US-4734519-A | STABILIZERS | MALLINCKRODT, INC. (US) | 1988-03-29 | — | — | US | disclosed |
| EP-0250087-A1 | Pentaerythritol co-esters | MALLINCKRODT, INC. (US) | 1987-12-23 | — | — | EP | disclosed |