SCHEMBL2490189

SCHEMBL2490189

C=CCOS(=O)(=O)O.CCCCCN

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
DNM1 Q05193 8/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.40
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA9 Q16790 7/20 0.36
CA12 O43570 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35

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
Tetradecane SCHEMBL476482 0.89 TSHR (0.50) TSHRCA1CA2CA9CA12
SCHEMBL27463953 0.83 CA1 (0.47) TSHRCA1CA2CA9CA12
SCHEMBL6017176 0.81 TSHR (0.44) TSHRCA1CA2CA9CA12
SCHEMBL1426857 0.81 CA1 (0.46) TSHRCA1CA2CA9CA12
SCHEMBL14660023 0.81 TSHR (0.44) TSHRMEN1KMT2AALDH1A1CA1
Methylamine SCHEMBL2059698 0.81 CA2 (0.37) TSHRCA1CA2CA9CA12
Sulfuric Acid SCHEMBL28087109 0.80 TSHR (0.42) TSHRMEN1KMT2ACA1CA2
Monoethanolamine SCHEMBL7198248 0.80 CA2 (0.33) TSHRALDH1A1CA1CA2CA9
Alcohol SCHEMBL181400 0.79 TSHR (0.33) TSHRCA2CA9
SCHEMBL4555487 0.79 CA2 (0.35) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2559339-A1 DISINFECTION AID FOR OZONE DISINFECTION AND METHOD FOR OZONE DISINFECTION Lion Corporation (JP) 2013-02-20 EP disclosed
US-20130028787-A1 STERILIZATION AUXILIARY FOR OZONE STERILIZATION AND OZONE STERILIZATION METHOD LION CORPORATION (JP) 2013-01-31 US disclosed
US-8337710-B2 Ozone oxidation accelerator, ozone oxidation accelerator composition, and ozone treatment method LION CORPORATION (JP) 2012-12-25 US disclosed
EP-2495296-A1 Ozone treatment method Lion Corporation (JP) 2012-09-05 EP disclosed
US-20110223073-A1 OZONE OXIDATION ACCELERATOR, OZONE OXIDATION ACCELERATOR COMPOSITION, AND OZONE TREATMENT METHOD LION CORPORATION (JP) 2011-09-15 US disclosed
US-20100147777-A1 Ozone Oxidation Accelerator, Ozone Oxidation Accelerator Composition, and Ozone Treatment Method LION CORPORATION (JP) 2010-06-17 US disclosed
EP-1942170-A1 ACCELERATOR FOR OZONE OXIDATION, OZONE OXIDATION ACCELERATOR COMPOSITION, AND METHOD OF OZONATION Lion Corporation (JP) 2008-07-09 EP disclosed