Fluoride

Fluoride

SCHEMBL7597154

Cc1ccc(Cl)c(Cl)c1.F.F.F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.48
TP53 P04637 1/20 0.48
ALKBH3 Q96Q83 1/20 0.46
IDO1 P14902 1/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
KCNH2 Q12809 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 2/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
PNMT P11086 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL29352576 0.97
SCHEMBL156450 0.97
Hydrochloric Acid SCHEMBL27964236 0.94 AHR (0.48) AHRTP53ALKBH3TSHRCYP3A4
Ammonia Solution, Strong SCHEMBL7443104 0.94 AHR (0.48) AHRTP53ALKBH3TSHRCYP3A4
SCHEMBL3222464 0.85 ALKBH3 (0.49) AHRTP53ALKBH3TSHRCYP3A4
SCHEMBL16346525 0.83 ALKBH3 (0.43) AHRTP53ALKBH3TSHRCYP3A4
SCHEMBL12190129 0.79 AHR (0.59) AHRTP53ALKBH3TSHRCYP1B1
SCHEMBL89325 0.77
SCHEMBL11507014 0.77 NPC1 (0.46) AHRTP53ALKBH3TSHRCYP1A2
SCHEMBL144391 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5910604-A NITROPHENYL ETHERS, ESPECIALLY ACIFLUORFEN ZENECA LIMITED (GB) 1999-06-08 US claimed
EP-0971875-B1 PROCESS FOR THE PURIFICATION OF SUBSTITUTED P-NITRODIPHENYLETHERS SYNGENTA LTD (GB) 2002-11-27 EP disclosed
US-6072080-A DISSOLVING MIXTURE IN CRYSTALLIZING SOLVENT, WASHING SOLUTION WITH AQUEOUS ACIDIC SOLUTION, RECRYSTALLIZING ZENECA LIMITED (GB) 2000-06-06 US disclosed
EP-0971875-A1 PROCESS FOR THE PURIFICATION OF SUBSTITUTED P-NITRODIPHENYLETHERS ZENECA LIMITED (GB) 2000-01-19 EP disclosed
US-5910604-A NITROPHENYL ETHERS, ESPECIALLY ACIFLUORFEN ZENECA LIMITED (GB) 1999-06-08 US disclosed
WO-1998040347-A1 PROCESS FOR THE PURIFICATION OF SUBSTITUTED P-NITRODIPHENYLETHERS ZENECA LIMITED (GB) 1998-09-17 WO disclosed
EP-0706993-B1 Method of purifying acifluorfen BASF CORP (US) 1998-03-04 EP disclosed
EP-0706993-A1 Method of purifying acifluorfen BASF Corporation (US) 1996-04-17 EP disclosed
US-5446197-A Dissolving in 1,2-dichlorobenzene solvent, recrystallization BASF CORPORATION (US) 1995-08-29 US disclosed