SCHEMBL543947

SCHEMBL543947

C=C(C)C(=O)OCC(F)(F)S(=O)(=O)O.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL2624987 0.98 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL244534 0.89 THRB (0.37) TSHRTHRBALDH1A1
SCHEMBL2222135 0.87 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL15497018 0.87 TSHR (0.36) TSHRTHRBALDH1A1
Thiophene SCHEMBL28212720 0.86 TSHR (0.33) TSHRTHRBALDH1A1
SCHEMBL17829481 0.85 THRB (0.44) TSHRTHRBALDH1A1
SCHEMBL11964336 0.84 THRB (0.39) TSHRTHRBALDH1A1
SCHEMBL17403610 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14299609 0.83 TSHR (0.33) TSHRTHRBALDH1A1
SCHEMBL1261674 0.83 ELANE (0.34) TSHRALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748672-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-06-10 US disclosed
US-20130317250-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-28 US disclosed
US-8581009-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-12 US disclosed
US-8222448-B2 Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-8158327-B2 Onium salt compound, polymer compound comprising the salt compound, chemically amplified resist composition comprising the polymer compound, and method for patterning using the composition KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-04-17 US disclosed
US-8110711-B2 Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2012-02-07 US disclosed
US-20110319652-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110034721-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same CENTRAL GLASS COMPANY, LIMITED (JP) 2011-02-10 US disclosed
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt CENTRAL GLASS COMPANY, LIMITED (JP) 2011-01-20 US disclosed
US-20100075256-A1 Onium salt compound, polymer compound comprising the salt compound, chemically amplified resist composition comprising the polymer compound, and method for patterning using the composition KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2010-03-25 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 (5 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-20110319652-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 TSHR 3752/4885THRB 2720/4885ALDH1A1 28/4885
US-20110034721-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same PFAS, DDAH1, STS TSHR 4185/4885THRB 4431/4885ALDH1A1 421/4885
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 TSHR 3752/4885THRB 2720/4885ALDH1A1 28/4885
US-20130317250-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same PFAS, DDAH1, STS TSHR 4185/4885THRB 4431/4885ALDH1A1 421/4885
US-20100075256-A1 Onium salt compound, polymer compound comprising the salt compound, chemically amplified resist composition comprising the polymer compound, and method for patterning using the composition ARF5, ARL1, FGFR2 TSHR 1296/4885THRB 2933/4885ALDH1A1 3581/4885

“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.