Fluoride

Fluoride

SCHEMBL29068323

CCCOC(=O)OCCC.F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HCAR2 Q8TDS4 1/20 0.46
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.41
ESR1 P03372 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SOAT1 P35610 1/20 0.41
ATM Q13315 1/20 0.39
NAAA Q02083 1/20 0.37
DGKA P23743 1/20 0.37
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ACHE P22303 1/20 0.36
PPM1B O75688 1/20 0.35
PTPN1 P18031 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
SCHEMBL17057 0.97 ALDH1A1 (0.56) ALDH1A1HCAR2LMNATSHRESR1
SCHEMBL6934821 0.94 ALDH1A1 (0.53) ALDH1A1HCAR2LMNATSHRESR1
Hydrogen Peroxide SCHEMBL28922349 0.94 ALDH1A1 (0.53) ALDH1A1HCAR2LMNATSHRESR1
SCHEMBL13465919 0.94 ALDH1A1 (0.53) ALDH1A1HCAR2LMNATSHRESR1
Ethane SCHEMBL28190088 0.94 ALDH1A1 (0.53) ALDH1A1HCAR2LMNATSHRESR1
Fluoride SCHEMBL29068335 0.92 ALDH1A1 (0.68) ALDH1A1HCAR2LMNATSHRESR1
Bicarbonate SCHEMBL278365 0.91 ALDH1A1 (0.50) ALDH1A1HCAR2LMNATSHRESR1
Bicarbonate SCHEMBL21462683 0.91 ALDH1A1 (0.50) ALDH1A1HCAR2LMNATSHRESR1
Ethylene SCHEMBL29245194 0.91 ALDH1A1 (0.50) ALDH1A1HCAR2LMNATSHRESR1
Ethyne SCHEMBL165176 0.91 ALDH1A1 (0.50) ALDH1A1HCAR2LMNATSHRESR1

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