Fluoride

Fluoride

SCHEMBL9761044

CCCCCCCCCCCCCCCCCCC(N)(CCN)CCO.F.F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.44
FDPS P14324 2/20 0.44
DNM1 Q05193 8/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX1 P07099 1/20 0.39
SGPL1 O95470 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
GPR183 P32249 1/20 0.38
TNNC1 P63316 1/20 0.38
CERS2 Q96G23 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL7051676 0.90 LMNA (0.52) SMPD1FDPSDNM1LMNAALDH1A1
SCHEMBL11146501 0.90 LMNA (0.52) SMPD1FDPSDNM1LMNAALDH1A1
SCHEMBL918621 0.90 LMNA (0.48) SMPD1FDPSLMNAALDH1A1MEN1
SCHEMBL221427 0.90 LMNA (0.48) SMPD1FDPSLMNAALDH1A1MEN1
SCHEMBL8830314 0.90 LMNA (0.48) SMPD1FDPSLMNAALDH1A1MEN1
SCHEMBL3069042 0.90 LMNA (0.48) SMPD1FDPSLMNAALDH1A1MEN1
SCHEMBL3070711 0.90 LMNA (0.48) SMPD1FDPSLMNAALDH1A1MEN1
SCHEMBL1421830 0.90 LMNA (0.48) SMPD1FDPSLMNAALDH1A1MEN1
SCHEMBL4461494 0.90 LMNA (0.48) SMPD1FDPSLMNAALDH1A1MEN1
SCHEMBL9575104 0.90 LMNA (0.48) SMPD1FDPSLMNAALDH1A1MEN1

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
US-5023074-A Containing polyoxyethylene glycol to prevent phase separation COLGATE-PALMOLIVE COMPANY (US) 1991-06-11 US disclosed