SCHEMBL17577372

SCHEMBL17577372

CCOC(=O)[C@@H]1OS(=O)(=O)O[C@H]1C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.40
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL18166910 1.00 TSHR (0.46) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL18166939 0.84 TSHR (0.41) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL20253855 0.84 TSHR (0.41) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL20966553 0.80 TDP1 (0.41) TSHRALDH1A1L3MBTL1
SCHEMBL22958521 0.80 TDP1 (0.41) TSHRALDH1A1L3MBTL1
SCHEMBL20253744 0.79 ALDH1A1 (0.47) TSHRALDH1A1LMNACYP1A2L3MBTL1
SCHEMBL17577376 0.79 ALDH1A1 (0.47) TSHRALDH1A1LMNACYP1A2L3MBTL1
SCHEMBL11545787 0.78 TSHR (0.55) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL2387688 0.78 TSHR (0.55) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL5317413 0.78 TSHR (0.55) TSHRALDH1A1PPM1BPTPN1PPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190103634-A1 Electrolyte for Lithium Secondary Battery and Lithium Secondary Battery Containing the Same SK INNOVATION CO., LTD. (KR) 2019-04-04 US disclosed
US-20160072150-A1 Electrolyte for Lithium Secondary Battery and Lithium Secondary Battery Containing the Same SK INNOVATION CO., LTD. (KR) 2016-03-10 US disclosed
US-20160072150-A1 Electrolyte for Lithium Secondary Battery and Lithium Secondary Battery Containing the Same SK INNOVATION CO., LTD. (KR) 2016-03-10 US disclosed