Fluoride

Fluoride

SCHEMBL9397000

CCCCCCCCCCCCCCCCCCN(O)CC.F.F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.48
MGLL Q99685 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
GBA1 P04062 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 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
SCHEMBL17866340 0.97 DNM1 (0.50) DNM1MGLLCA12CA1CA2
SCHEMBL28987999 0.97 DNM1 (0.50) DNM1MGLLCA12CA1CA2
SCHEMBL486853 0.97 DNM1 (0.50) DNM1MGLLCA12CA1CA2
SCHEMBL10588448 0.97 DNM1 (0.50) DNM1MGLLCA12CA1CA2
SCHEMBL743513 0.97 DNM1 (0.50) DNM1MGLLCA12CA1CA2
SCHEMBL4891608 0.97 DNM1 (0.50) DNM1MGLLCA12CA1CA2
SCHEMBL9206609 0.97 DNM1 (0.50) DNM1MGLLCA12CA1CA2
SCHEMBL4867745 0.97 DNM1 (0.50) DNM1MGLLCA12CA1CA2
SCHEMBL745643 0.97 DNM1 (0.50) DNM1MGLLCA12CA1CA2
Hydrochloric Acid SCHEMBL11187504 0.95 DNM1 (0.52) DNM1MGLLCA12CA1CA2

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-5328692-A Sprays for teeth with antiseptics, bactericides, antitartar agents, sugars and fluorine source DANA DOMINIQUE (FR) 1994-07-12 US claimed