Fluoride

Fluoride

SCHEMBL7042364

F.F.F.F.F.FC(F)(F)c1cc([S])cc(Br)c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
ACP1 P24666 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
P2RX4 Q99571 2/20 0.33
P2RX7 Q99572 2/20 0.33
CES2 O00748 1/20 0.33
TMPRSS4 Q9NRS4 2/20 0.33
IDO1 P14902 1/20 0.30
THRB P10828 1/20 0.30
KDR P35968 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 SCHEMBL7042360 1.00 NOTUM (0.43) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL1082212 0.82 NOTUM (0.50) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL131138 0.82 NOTUM (0.50) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL1445873 0.79 NOTUM (0.48) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL2095504 0.79 CES2 (0.48) CES2IDO1
SCHEMBL29365971 0.73 NOTUM (0.44) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL43363 0.73 NOTUM (0.44) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL21415457 0.73 NOTUM (0.41) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL134690 0.71 TSHR (0.46) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL15516021 0.71 NOTUM (0.43) NOTUMACP1S1PR1S1PR3TAS2R14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341756-A1 POLYFLUORINATED AROMATIC OR HETEROCYCLIC DERIVATIVES WITH SULPHURPENTAFLUORIDE GROUP(S) F2 Chemicals Limited (GB) 2003-09-10 EP claimed
US-20030096999-A1 Polyfluorinated aromatic or heterocyclic derivatives with sulphurpentalfuoride group(s) F2 CHEMICALS LIMITED (GB) 2003-05-22 US claimed
WO-2002042263-A1 POLYFLUORINATED AROMATIC OR HETEROCYCLIC DERIVATIVES WITH SULPHURPENTAFLUORIDE GROUP(S) F2 CHEMICALS LIMITED (GB) 2002-05-30 WO claimed