Fluoride

Fluoride

SCHEMBL11099490

CCCCCCCCCCCCCCCCCCN(CCCO)C(CC)N(CCCO)CCCO.F.F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
DNM1 Q05193 6/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GGPS1 O95749 2/20 0.33
GBA1 P04062 1/20 0.33

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
Fluoride SCHEMBL11097713 0.96 LMNA (0.43) LMNAALDH1A1HSD17B10MEN1KMT2A
Fluoride SCHEMBL3259338 0.92 LMNA (0.41) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL190294 0.90 LMNA (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1038114 0.90 LMNA (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL268149 0.86 DNM1 (0.39) LMNAALDH1A1HSD17B10MEN1KMT2A
Avridine SCHEMBL6741009 0.82 LMNA (0.35) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2842761 0.78 LMNA (0.44) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2843576 0.78 LMNA (0.44) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2843587 0.78 MAPT (0.39) ALDH1A1TSHRDNM1
SCHEMBL10380685 0.77 DNM1 (0.42) TSHRDNM1CA12CA1CA2

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
EP-0125103-A2 Surfactant compositions THE PROCTER & GAMBLE COMPANY (US) 1984-11-14 EP disclosed