SCHEMBL2309062

SCHEMBL2309062

C=CC(=O)C(C)(CC)S(=O)(=O)O.[Na]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5664611 0.98 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL28206994 0.80
SCHEMBL11310645 0.77
SCHEMBL29420199 0.72 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL6555695 0.72 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL28011339 0.70 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL27532414 0.70
SCHEMBL30576694 0.69 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL28161019 0.69 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL11548289 0.69

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206865-B2 Oral compositions containing polymethylsilsesquioxane particles THE PROCTER & GAMBLE COMPANY (US) 2019-02-19 US disclosed
US-20180140518-A1 Heat Treated Precipitated Silica PROCTER & GAMBLE (US) 2018-05-24 US disclosed
US-9918914-B2 Heat treated precipitated silica THE PROCTER & GAMBLE COMPANY (US) 2018-03-20 US disclosed
US-20170216192-A1 Oral Compositions Containing Polymethylsilsesquioxane Particles PROCTER & GAMBLE (US) 2017-08-03 US disclosed
US-9649273-B2 Oral compositions containing polymethylsilsesquioxane particles THE PROCTER & GAMBLE COMPANY (US) 2017-05-16 US disclosed
EP-2914236-B1 HEAT TREATED PRECIPITATED SILICA PROCTER & GAMBLE (US) 2017-03-29 EP disclosed
US-9566226-B2 Oral compositions containing polymethylsilsesquioxane particles THE PROCTER & GAMBLE COMPANY (US) 2017-02-14 US disclosed
US-9549887-B2 Oral compositions containing polyorganosilsesquioxane particles THE PROCTER & GAMBLE COMPANY (US) 2017-01-24 US disclosed
EP-2349191-B2 ORAL CARE COMPOSITIONS COMPRISING SPHERICAL FUSED SILICA PROCTER & GAMBLE (US) 2016-12-21 EP disclosed
US-20160250114-A1 Heat Treated Precipitated Silica PROCTER & GAMBLE (US) 2016-09-01 US disclosed
US-20100135931-A1 Whitening Composition with Fused Silica THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100135933-A1 Antibacterial Oral Care Compositions with Fused Silica THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100135921-A1 Oral Care Compositions with Improved Aesthetics and Fused Silica THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100135925-A1 Prophy Paste and Weekly Oral Care Compositions THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100135930-A1 Low Ph Oral Care Compositions with Fused Filica THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100136069-A1 Cleaning Oral Care Compositions THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100135927-A1 Mild Oral Care Compositions THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100135934-A1 Oral Care Compositions with Abrasive Combinations THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100135929-A1 Oral Care Compositions Containing Gel Networks and Fused Silica THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100135922-A1 Oral Care Compositions Comprising Spherical Fused Silica THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed