⚠ 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 | |
|---|---|---|---|---|
| Perbromobenzene SCHEMBL27124 | 0.52 | ALDH1A1 (0.50) | — | |
| Perbromobenzene SCHEMBL10452958 | 0.51 | CA1 (0.39) | — | |
| SCHEMBL9838347 | 0.50 | — | — | |
| Perbromobenzene SCHEMBL11574212 | 0.44 | ALDH1A1 (0.42) | — | |
| SCHEMBL11881165 | 0.41 | TSHR (0.44) | — | |
| SCHEMBL192021 | 0.41 | TSHR (0.44) | — | |
| SCHEMBL34874 | 0.39 | — | — | |
| Calcium Bromide SCHEMBL30888723 | 0.39 | — | — | |
| SCHEMBL12458567 | 0.35 | — | — | |
| SCHEMBL13144087 | 0.35 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0268039-B1 | 3-TERT-BUTYL AND 3-TERT-BUTYL-5-ALKYL-4-HYDROXYPHENYL ALCANOID ACID ESTER WITH OXYETHYLATES OF POLYTHIOLS, PROCESS FOR THEIR PREPARATION AND USE AS STABILIZER | HÜLS AKTIENGESELLSCHAFT (DE) | 1992-09-02 | — | — | EP | claimed |
| US-4906775-A | Esters of 3-tert-butyl- and 3-tert-butyl-5-alkyl-4-hydroxyphenyl (alkane) carboxylic acids with oxyethylates of polythiols | HUELS AKTIENGESELLSCHAFT (DE) | 1990-03-06 | — | — | US | claimed |
| EP-0268039-A2 | 3-Tert-butyl and 3-tert-butyl-5-alkyl-4-hydroxyphenyl alcanoid acid ester with oxyethylates of polythiols, process for their preparation and use as stabilizer | HÜLS AKTIENGESELLSCHAFT (DE) | 1988-05-25 | — | — | EP | claimed |