Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butyl Hydroperoxide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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-Butyl Hydroperoxide SCHEMBL11312020 | 0.90 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL6896488 | 0.90 | ALDH1A1 (0.39) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL10352877 | 0.90 | ALDH1A1 (0.39) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL3198636 | 0.90 | ALDH1A1 (0.39) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL20163 | 0.90 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL9562915 | 0.79 | TDP1 (0.31) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL9817088 | 0.76 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL9310973 | 0.71 | — | — | |
| Lithium Ion SCHEMBL10389521 | 0.60 | — | — | |
| Lithium Ion SCHEMBL5012761 | 0.60 | TSHR (0.30) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1045823-B1 | PROCESS FOR MAKING CERTAIN BENZOIC ACID COMPOUNDS | PROCTER & GAMBLE (US) | 2005-11-02 | — | — | EP | claimed |
| US-6348624-B1 | TREATING 1-BROMO-2,4-DIFLUOROBENZENE WITH STRONG, NON-NUCLEOPHILIC BASE, REACTING WITH ELECTROPHILIC REAGENT, TREATING WITH ALKALI OR ALKALINE EARTH METAL OR ORGANOMETALLIC REAGENT AND CARBON DIOXIDE, OR FORMYLATING AND OXIDIZING | THE PROCTER & GAMBLE CO. | 2002-02-19 | — | — | US | claimed |
| EP-1045823-A1 | PROCESS FOR MAKING CERTAIN BENZOIC ACID COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2000-10-25 | — | — | EP | claimed |
| WO-1999035117-A1 | PROCESS FOR MAKING CERTAIN BENZOIC ACID COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 1999-07-15 | — | — | WO | claimed |
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | claimed |
| US-20100190848-A1 | Cysteine-protease inhibitors | UNIVERSITAT JAUME I (ES) | 2010-07-29 | — | — | US | disclosed |
| EP-2168954-A1 | CYSTEINE PROTEASES INHIBITORS | Universitat Jaume I (ES) | 2010-03-31 | — | — | EP | disclosed |
| EP-1045823-B1 | PROCESS FOR MAKING CERTAIN BENZOIC ACID COMPOUNDS | PROCTER & GAMBLE (US) | 2005-11-02 | — | — | EP | disclosed |
| US-6348624-B1 | TREATING 1-BROMO-2,4-DIFLUOROBENZENE WITH STRONG, NON-NUCLEOPHILIC BASE, REACTING WITH ELECTROPHILIC REAGENT, TREATING WITH ALKALI OR ALKALINE EARTH METAL OR ORGANOMETALLIC REAGENT AND CARBON DIOXIDE, OR FORMYLATING AND OXIDIZING | THE PROCTER & GAMBLE CO. | 2002-02-19 | — | — | US | disclosed |
| EP-1045823-A1 | PROCESS FOR MAKING CERTAIN BENZOIC ACID COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035117-A1 | PROCESS FOR MAKING CERTAIN BENZOIC ACID COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 1999-07-15 | — | — | WO | disclosed |
| EP-0363458-B1 | 2,3-DIFLUOROBENZENES | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| EP-0515972-A1 | Polymerizable liquid crystal materials and polymer compositions displaying ferroelectric smectic liquid crystal phases | MERCK PATENT GmbH (DE) | 1992-12-02 | — | — | EP | disclosed |
| EP-0332007-B1 | DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE | MERCK PATENT GmbH (DE) | 1992-11-25 | — | — | EP | disclosed |
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | disclosed |
| EP-0373186-A1 | DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE | MERCK PATENT GmbH (DE) | 1990-06-20 | — | — | EP | disclosed |
| EP-0363458-A1 | 2,3-DIFLUOROBENZENES. | MERCK PATENT GMBH (DE) | 1990-04-18 | — | — | EP | disclosed |
| WO-1989008629-A1 | PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| WO-1989008637-A1 | DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332007-A1 | Derivatives of 2,3-difluorohydroquinone | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |