Fluoride

Fluoride

SCHEMBL29068335

CCCOC(=O)OCC.F

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
SOAT1 P35610 1/20 0.55
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
HCAR2 Q8TDS4 2/20 0.41
TRPA1 O75762 1/20 0.39
TSHR P16473 2/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 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
SCHEMBL7057738 0.97 ALDH1A1 (0.72) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL137153 0.97
SCHEMBL26267545 0.95 ALDH1A1 (0.68) ALDH1A1SOAT1LMNAHSD17B10ALOX15
Bicarbonate SCHEMBL28320275 0.92 ALDH1A1 (0.65) ALDH1A1SOAT1LMNAHSD17B10ALOX15
Bicarbonate SCHEMBL28320274 0.92 ALDH1A1 (0.65) ALDH1A1SOAT1LMNAHSD17B10ALOX15
Fluoride SCHEMBL29068323 0.92 ALDH1A1 (0.53) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL17057 0.89 ALDH1A1 (0.56) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL2034039 0.88 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL8721274 0.88 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL20280980 0.88 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10ALOX15

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-115443570-A Anode-free lithium battery 索尔维公司 2022-12-06 CN disclosed