SCHEMBL246990

SCHEMBL246990

C=C(C)C(=O)OCC(F)(F)S(=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
SCHEMBL2759446 0.98 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL246991 0.81 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL246606 0.77 TSHR (0.48) TSHRTHRBALDH1A1
SCHEMBL28031899 0.77 TSHR (0.48) TSHRTHRBALDH1A1
SCHEMBL36595 0.77 TSHR (0.48) TSHRTHRBALDH1A1
SCHEMBL245591 0.77 TSHR (0.48) TSHRTHRBALDH1A1
SCHEMBL75528 0.76 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL543947 0.75 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL13554470 0.75 TSHR (0.47) TSHRTHRBALDH1A1
Fluoride SCHEMBL28255897 0.75 TSHR (0.47) TSHRTHRBALDH1A1

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-9024058-B2 Ammonium fluoroalkanesulfonates and a synthesis method therefor CENTRAL GLASS COMPANY, LIMITED (JP) 2015-05-05 US disclosed
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-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-20120004447-A1 Ammonium Fluoroalkanesulfonates and a Synthesis Method Therefor CENTRAL GLASS COMPANY, LIMITED (JP) 2012-01-05 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

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-20120004447-A1 Ammonium Fluoroalkanesulfonates and a Synthesis Method Therefor NOTUM, FAR1, PFAS TSHR 3858/4885THRB 4247/4885ALDH1A1 1371/4885

“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.