Fluoride

Fluoride

SCHEMBL9841896

CCCCC[C@H]1CC[C@H](C#Cc2ccc([S])cc2)CC1.CCCCC[C@H]1CC[C@H](C#Cc2ccc([S])cc2)CC1.CCCCC[C@H]1CC[C@H](C#Cc2ccc([S])cc2)CC1.CCCCC[C@H]1CC[C@H](C#Cc2ccc([S])cc2)CC1.CCCCC[C@H]1CC[C@H](C#Cc2ccc([S])cc2)CC1.F.F.F.F.F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 3/20 0.34
FFAR4 Q5NUL3 2/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
P2RY6 Q15077 1/20 0.31
BACE1 P56817 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
GRM2 Q14416 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
S1PR3 Q99500 1/20 0.30

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 SCHEMBL9841869 0.99 FFAR1 (0.36) FFAR1MEN1KMT2ACYP1A2FFAR4
Fluoride SCHEMBL9841204 0.99 FFAR1 (0.36) FFAR1MEN1KMT2ACYP1A2FFAR4
Fluoride SCHEMBL9841363 0.99 FFAR1 (0.36) FFAR1MEN1KMT2ACYP1A2FFAR4
Fluoride SCHEMBL9841312 0.96 FFAR1 (0.38) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9855901 0.91 FFAR1 (0.42) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9498081 0.91 FFAR1 (0.42) FFAR1MEN1KMT2ACYP1A2FFAR4
Fluoride SCHEMBL9841737 0.90 FFAR1 (0.39) FFAR1MEN1KMT2AFFAR4MAPT
SCHEMBL9855387 0.90 FFAR1 (0.41) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9496725 0.90 FFAR1 (0.41) FFAR1MEN1KMT2ACYP1A2FFAR4
SCHEMBL9855228 0.87 FFAR1 (0.43) FFAR1MEN1KMT2ACYP1A2FFAR4

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-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed