⚠ 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 | |
|---|---|---|---|---|
| Carbon Tetrachloride SCHEMBL5166976 | 0.78 | — | — | |
| SCHEMBL4352 | 0.78 | — | — | |
| SCHEMBL4601458 | 0.76 | — | — | |
| Carbon Tetrachloride SCHEMBL29059085 | 0.74 | — | — | |
| Carbon Tetrachloride SCHEMBL3297492 | 0.74 | — | — | |
| SCHEMBL8409688 | 0.73 | — | — | |
| SCHEMBL12855585 | 0.73 | — | — | |
| Bromide SCHEMBL31546681 | 0.72 | — | — | |
| Carbon Tetrachloride SCHEMBL6048500 | 0.72 | — | — | |
| SCHEMBL4252284 | 0.72 | — | — |
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-4994628-A | 3,5-Dialkyl-4-hydroxybenzyl-substituted benzenes by reacting 2,6-dialkyl-4-methoxymethyl phenols with benzene compound; sulfuric acid catalyst | ETHYL CORPORATION (US) | 1991-02-19 | — | — | US | disclosed |
| US-4992597-A | Reacting 2,6-dialkyl-4-methoxymethyl phenols with benzene compounds to produce 3,5-dialkyl-4-hydroxybenzyl-substituted benzene compounds | ETHYL CORPORATION (US) | 1991-02-12 | — | — | US | disclosed |