SCHEMBL20816539

SCHEMBL20816539

C=CC(=O)OCCCS(=O)(=O)Cl

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 1/20 0.55
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 3/20 0.32

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
SCHEMBL10657311 0.88 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14882 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4774447 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Potassium SCHEMBL29895343 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2457988 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23607560 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL316981 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL474181 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28357487 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22198361 0.79 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11050083-B2 Lithium metal polymer battery having a high energy density BLUE SOLUTIONS (FR) 2021-06-29 US disclosed
US-20190088997-A1 LITHIUM METAL POLYMER BATTERY HAVING A HIGH ENERGY DENSITY BLUE SOLUTIONS (FR) 2019-03-21 US disclosed