SCHEMBL19857512

SCHEMBL19857512

CCOP(=O)(OCCF)OCCF

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARD Q03181 2/20 0.39
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL16668639 1.00 TSHR (0.65) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL2056597 0.87 ALDH1A1 (0.50) TSHRCYP3A4ALDH1A1
SCHEMBL8962338 0.84 TSHR (0.81) TSHRCYP3A4ALDH1A1TP53TDP1
Triethyl Phosphate SCHEMBL31533519 0.81 TSHR (0.77) TSHRCYP3A4ALDH1A1TP53TDP1
Triethyl Phosphate SCHEMBL1332591 0.81 TSHR (1.00) TSHRCYP3A4ALDH1A1TP53TDP1
Triethyl Phosphate SCHEMBL28023664 0.81 TSHR (1.00) TSHRCYP3A4ALDH1A1TP53TDP1
Triethyl Phosphate SCHEMBL21887 0.81 TSHR (1.00) TSHRCYP3A4ALDH1A1TP53TDP1
Triethyl Phosphate SCHEMBL27822049 0.81 TSHR (1.00) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL6014558 0.80 TSHR (0.65) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL992694 0.80 TSHR (0.65) TSHRCYP3A4ALDH1A1TP53TDP1

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
EP-3467929-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME CENTRAL GLASS CO LTD (JP) 2021-06-02 EP disclosed
US-10734682-B2 Electrolytic solution KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2020-08-04 US disclosed
US-20180048024-A1 ELECTROLYTIC SOLUTION THE UNIVERSITY OF TOKYO (JP) 2018-02-15 US disclosed