SCHEMBL777064

SCHEMBL777064

CC(C)(C)OS(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Fluoride SCHEMBL779997 0.96 CYP2C19 (0.36) CYP2C19
SCHEMBL27748554 0.83
Fluoride SCHEMBL777423 0.81 CYP2C19 (0.32) CYP2C19ALDH1A1
Fluoride SCHEMBL775340 0.74 CYP2C19 (0.39) CYP2C19
SCHEMBL9608720 0.74
SCHEMBL4129616 0.72 CYP2C19 (0.35) CYP2C19
SCHEMBL9343767 0.72
SCHEMBL777065 0.72
SCHEMBL9343764 0.72
SCHEMBL11685798 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510332-A New method for synthesizing 6, 8-dichloro octanoic acid ester 风火轮(上海)生物科技有限公司 2024-02-06 CN claimed
CN-111440103-A Preparation method of tert-butyl disulfide 爱斯特(成都)生物制药股份有限公司 2020-07-24 CN claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
CN-117510332-A New method for synthesizing 6, 8-dichloro octanoic acid ester 风火轮(上海)生物科技有限公司 2024-02-06 CN disclosed
EP-4270574-A1 LITHIUM-ION BATTERY Shenzhen Capchem Technology Co., Ltd (CN) 2023-11-01 EP disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
CN-111440103-A Preparation method of tert-butyl disulfide 爱斯特(成都)生物制药股份有限公司 2020-07-24 CN disclosed
CN-111440103-A Preparation method of tert-butyl disulfide 爱斯特(成都)生物制药股份有限公司 2020-07-24 CN disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
EP-1249450-B1 BENZIMIDAZOLE DERIVATIVES AS HUMAN CHYMASE INHIBITORS TEIJIN PHARMA LTD (JP) 2007-10-10 EP disclosed
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
US-20050215801-A1 Process for preparation of optically active 1-substituted amino-2,3-epoxypropanes, intermediates for synthesis thereof and process for preparation of the intermediates KANEKA CORPORATION (JP) 2005-09-29 US disclosed
EP-1553093-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE 1-SUBSTITUTED AMINO-2,3-EPOXYPROPANES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND PROCESS FOR PREPARATION OF THE INTERMEDIATES KANEKA CORPORATION (JP) 2005-07-13 EP disclosed
US-20040162311-A1 Benzimidazole derivative TEIJIN LIMITED 2004-08-19 US disclosed
US-20040010004-A1 Benzimidazole derivatives TEIJIN LIMITED (JP) 2004-01-15 US disclosed
EP-1249450-A1 BENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2002-10-16 EP disclosed
US-4363902-A Process and heavy metal catalyst for the polymerization of α-olefins, particularly polyethylene WACKER-CHEMIE GMBH (DE) 1982-12-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040162311-A1 Benzimidazole derivative CMA1, CBR3, CBR1 CYP2C19 564/4885TDP1 3540/4885TSHR 1874/4885
US-20040010004-A1 Benzimidazole derivatives CMA1, CBR3, CBR1 CYP2C19 584/4885TDP1 3545/4885TSHR 1813/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 CYP2C19 120/4885TDP1 738/4885TSHR 2649/4885
US-20050215801-A1 Process for preparation of optically active 1-substituted amino-2,3-epoxypropanes, intermediates for synthesis thereof and process for preparation of the intermediates OXER1, RCC2, CBR3 CYP2C19 445/4885TDP1 1922/4885TSHR 2021/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.