Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tert-Butanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 SCHEMBL474820 | 0.95 | — | — | |
| Tert-Butanol SCHEMBL5867448 | 0.91 | — | — | |
| Tert-Butanol SCHEMBL11259725 | 0.91 | TSHR (0.55) | — | |
| Tert-Butanol SCHEMBL1446272 | 0.86 | ALDH1A1 (0.40) | — | |
| Alcohol SCHEMBL15880913 | 0.82 | TSHR (0.55) | — | |
| Alcohol SCHEMBL595983 | 0.82 | TSHR (0.55) | — | |
| Tert-Butanol SCHEMBL5867069 | 0.81 | TSHR (0.43) | — | |
| Tert-Butanol SCHEMBL10441371 | 0.81 | ALDH1A1 (0.43) | — | |
| Tert-Butanol SCHEMBL27940828 | 0.80 | — | — | |
| Alcohol SCHEMBL27658536 | 0.80 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109678668-B | Ethanol-tert-butanol-water refining fractionation method | 滨州学院 | 2021-12-17 | — | — | CN | claimed |
| CN-114702368-A | Method for separating tertiary butanol-ethanol-water ternary azeotropic system by double-tower reactive extraction side-stream rectification process | 重庆科技学院 | 2022-07-05 | — | — | CN | disclosed |
| CN-109678668-B | Ethanol-tert-butanol-water refining fractionation method | 滨州学院 | 2021-12-17 | — | — | CN | disclosed |
| CN-109678668-B | Ethanol-tert-butanol-water refining fractionation method | 滨州学院 | 2021-12-17 | — | — | CN | disclosed |
| CN-109678668-B | Ethanol-tert-butanol-water refining fractionation method | 滨州学院 | 2021-12-17 | — | — | CN | disclosed |
| CN-113072425-A | Method for separating ethanol, cyclohexanol and water by extractive distillation-pressure swing distillation of dividing wall tower | 青岛科技大学 | 2021-07-06 | — | — | CN | disclosed |
| CN-102143750-B | Macrocyclics pyrimidines as aurora kinase inhibitors | MERCK PATENT GMBH | 2014-04-02 | — | — | CN | disclosed |
| CN-102143750-A | Macrocyclics pyrimidines as aurora kinase inhibitors | MERCK PATENT GMBH | 2011-08-03 | — | — | CN | disclosed |
| US-4427682-A | ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS | ONO PHARMACEUTICAL CO., LTD. (JP) | 1984-01-24 | — | — | US | disclosed |
| US-4317828-A | ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS | ONO PHARMACEUTICAL CO., LTD. (JP) | 1982-03-02 | — | — | US | disclosed |
| US-4271170-A | THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS | ONO PHARMACEUTICAL CO., LTD., (JP) | 1981-06-02 | — | — | US | disclosed |