⚠ 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL11425990 | 0.88 | — | — | |
| Tert-Butanol SCHEMBL217036 | 0.84 | — | — | |
| Tert-Butanol SCHEMBL17763313 | 0.84 | ALDH1A1 (0.60) | — | |
| Tert-Butanol SCHEMBL20503401 | 0.82 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL3628777 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.82 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL15300416 | 0.80 | ALDH1A1 (0.50) | — | |
| Tert-Butanol SCHEMBL894082 | 0.80 | ALDH1A1 (0.55) | — | |
| Tert-Butanol SCHEMBL8647334 | 0.80 | ALDH1A1 (0.55) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10414701-B2 | Production of alkylate from light alkanes | ExxonMoble Research and Engineering Company (US) | 2019-09-17 | — | — | US | disclosed |
| US-20180162786-A1 | PRODUCTION OF ALKYLATE FROM LIGHT ALKANES | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2018-06-14 | — | — | US | disclosed |
| US-20180162789-A1 | METHODS AND SYSTEMS FOR CONVERTING HYDROCARBONS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2018-06-14 | — | — | US | disclosed |
| US-6911413-B2 | Nano-gold catalyst and process for preparing the same | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2005-06-28 | — | — | US | disclosed |
| US-4529824-A | Vanadium, niobium or tanatlum peroxidic complex | INSTITUT FRANCAIS DU PETROLE (FR) | 1985-07-16 | — | — | US | disclosed |
| US-4263448-A | FORMING GLYCOL ESTERS | HALCON RESEARCH AND DEVELOPMENT CORP. (US) | 1981-04-21 | — | — | US | disclosed |