Fluoride

Fluoride

SCHEMBL9761042

CCCCCCCCCCCCCCCCCC(CCO)C(N)CCN.F.F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
CYP2D6 P10635 2/20 0.46
SPHK1 Q9NYA1 2/20 0.46
TP53 P04637 2/20 0.46
GMNN O75496 1/20 0.46
POLB P06746 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CETP P11597 1/20 0.46
HTT P42858 1/20 0.46
UBE2N P61088 1/20 0.46
OPRM1 P35372 1/20 0.42
RRM1 P23921 1/20 0.39
LAP3 P28838 1/20 0.38
GNAI3 P08754 1/20 0.37

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
SCHEMBL10777307 0.89 SPHK1 (0.48) LMNACYP2D6SPHK1TP53GMNN
SCHEMBL7156689 0.87 LMNA (0.53) LMNACYP2D6SPHK1TP53GMNN
SCHEMBL27421723 0.87 LMNA (0.53) LMNACYP2D6SPHK1TP53GMNN
Bromide SCHEMBL28057170 0.85 LMNA (0.52) LMNACYP2D6SPHK1TP53GMNN
SCHEMBL20142346 0.85 DNM1 (0.48) LMNACYP2D6SPHK1TP53GMNN
Hydrochloric Acid SCHEMBL5350915 0.85 LMNA (0.52) LMNACYP2D6SPHK1TP53GMNN
Hydrochloric Acid SCHEMBL5353819 0.85 LMNA (0.52) LMNACYP2D6SPHK1TP53GMNN
SCHEMBL9817588 0.81 SPHK1 (0.45) LMNACYP2D6SPHK1TP53GMNN
Fluoride SCHEMBL28034068 0.81 DNM1 (0.54) LMNACYP2D6SPHK1TP53GMNN
SCHEMBL14900909 0.78 OPRM1 (0.52) LMNACYP2D6SPHK1TP53GMNN

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