Fluoride Ion

Fluoride Ion

SCHEMBL63707

CC[N+](CC)(CC)Cc1ccccc1.[F-].[F-].[F-].[H+].[H+]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.47
CHRNA7 P36544 6/20 0.46
CHRNB4 P30926 5/20 0.46
CHRNA3 P32297 5/20 0.46
TP53 P04637 2/20 0.46
DNM1 Q05193 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
HTT P42858 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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 Ion SCHEMBL649058 0.98 KDM4E (0.52) KDM4EALDH1A1TDP1CYP1A2CHRNA7
Fluoride SCHEMBL2112122 0.95 KDM4E (0.50) KDM4EALDH1A1TDP1CYP1A2CHRNA7
Hydrogen Sulfide SCHEMBL5998579 0.95 KDM4E (0.54) KDM4EALDH1A1TDP1CYP1A2CHRNA7
SCHEMBL81238 0.95 KDM4E (0.54) KDM4EALDH1A1TDP1CYP1A2CHRNA7
Benzene SCHEMBL29130108 0.95 KDM4E (0.54) KDM4EALDH1A1TDP1CYP1A2CHRNA7
Fluoride SCHEMBL27700194 0.93 KDM4E (0.48) KDM4EALDH1A1TDP1CYP1A2CHRNA7
SCHEMBL11224727 0.93 KDM4E (0.52) KDM4EALDH1A1TDP1CYP1A2CHRNA7
Bromide SCHEMBL653934 0.93 KDM4E (0.52) KDM4EALDH1A1TDP1CYP1A2CHRNA7
Bromide SCHEMBL117943 0.93 KDM4E (0.52) KDM4EALDH1A1TDP1CYP1A2CHRNA7
Iodide SCHEMBL239644 0.93 KDM4E (0.52) KDM4EALDH1A1TDP1CYP1A2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189448-B1 AGENT FOR THE FLUORIDATION OF ORGANIC COMPOUNDS PARTICULARLY ACETYLENIC COMPOUNDS, PREPARATION PROCESS THEREOF AND UTILIZATION THEREOF IN NUCLEOPHILIC SUBSTITUTION OR ADDITION REACTIONS UNIVERSITE D'ANGERS (FR) 1989-01-25 EP claimed
US-8207184-B2 Condensation compound between fluorinated cyclopentane ring and aromatic ring, and process for producing the same SUMITOMO CHEMICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-8158275-B2 Fluorine-containing compound and method for producing same, fluorine-containing polymer, organic thin film, and organic thin film device OSAKA UNIVERSITY (JP) 2012-04-17 US disclosed
US-8129400-B2 Condensation compound between fluorinated cyclopentane ring and aromatic ring, and process for producing the same SUMITOMO CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO., LTD. (JP) 2011-11-17 US disclosed
US-20110213162-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO., LTD. (JP) 2011-09-01 US disclosed
US-8008336-B2 Forming electronic material, semiconductors SUMITOMO CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
US-20100171102-A1 FLUORINE-CONTAINING POLYCYCLIC AROMATIC COMPOUND, FLUORINE-CONTAINING POLYMER, ORGANIC THIN FILM AND ORGANIC THIN FILM DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-08 US disclosed
EP-2133321-A1 FLUORINE-CONTAINING POLYCYCLIC AROMATIC COMPOUND, FLUORINE-CONTAINING POLYMER, ORGANIC THIN FILM AND ORGANIC THIN FILM DEVICE Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
US-20090240014-A1 FLUORINE-CONTAINING COMPOUND AND METHOD FOR PRODUCING SAME, FLUORINE-CONTAINING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-24 US disclosed
EP-1997821-A1 FLUORINE-CONTAINING COMPOUND AND METHOD FOR PRODUCING SAME, FLUORINE-CONTAINING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM DEVICE Osaka University (JP) 2008-12-03 EP disclosed
US-20080207922-A1 Condensation Compound Between Fluorinated Cyclopentane Ring and Aromatic Ring, and Process for Producing the Same SUMITOMO CHEMICAL CO., LTD (JP) 2008-08-28 US disclosed
EP-1857452-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME OSAKA UNIVERSITY (JP) 2007-11-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080207922-A1 Condensation Compound Between Fluorinated Cyclopentane Ring and Aromatic Ring, and Process for Producing the Same RCC1, AFF4, TPR KDM4E 1633/4885ALDH1A1 3317/4885TDP1 2969/4885
US-20100171102-A1 FLUORINE-CONTAINING POLYCYCLIC AROMATIC COMPOUND, FLUORINE-CONTAINING POLYMER, ORGANIC THIN FILM AND ORGANIC THIN FILM DEVICE AFF1, RFT1, AFF2 KDM4E 3194/4885ALDH1A1 2144/4885TDP1 1490/4885
US-20110213162-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR KDM4E 1633/4885ALDH1A1 3317/4885TDP1 2969/4885
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR KDM4E 1633/4885ALDH1A1 3317/4885TDP1 2969/4885
US-20090240014-A1 FLUORINE-CONTAINING COMPOUND AND METHOD FOR PRODUCING SAME, FLUORINE-CONTAINING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM DEVICE AFF1, AFF2, RFT1 KDM4E 2089/4885ALDH1A1 849/4885TDP1 2748/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.