SCHEMBL29029670

SCHEMBL29029670

CC(C)OC(=O)F.O=C(O)F.O=C(O)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HCAR2 Q8TDS4 1/20 0.42
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
CA7 P43166 3/20 0.33
CA14 Q9ULX7 3/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 1/20 0.33
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3387637 0.94
SCHEMBL1048351 0.73
SCHEMBL36671 0.71
Hydrogen Peroxide SCHEMBL28342534 0.71 TSHR (0.56) TSHRHCAR2PDCD1CD274CA12
Hydrochloric Acid SCHEMBL11627915 0.69
Water SCHEMBL10402394 0.69
SCHEMBL3690443 0.69
Bicarbonate SCHEMBL28363044 0.69 TSHR (0.53) TSHRHCAR2PDCD1CD274CA12
Bicarbonate SCHEMBL6046315 0.69 TSHR (0.53) TSHRHCAR2PDCD1CD274CA12
Bicarbonate SCHEMBL6046311 0.69 TSHR (0.53) TSHRHCAR2PDCD1CD274CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116404265-A Electrochemical device and electronic device 宁德新能源科技有限公司 2023-07-07 CN disclosed