Fluoride

Fluoride

SCHEMBL3958324

CCCCOC(=O)C(=O)OCCCC.F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
ATM Q13315 1/20 0.58
TSHR P16473 5/20 0.56
HPGD P15428 1/20 0.54
NAAA Q02083 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX1 P07099 1/20 0.46
ESR1 P03372 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR1H2 P55055 1/20 0.45

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
SCHEMBL137155 0.97 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL5501929 0.97 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL28787473 0.97 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL5501926 0.94 ALDH1A1 (0.64) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL28131973 0.94 ALDH1A1 (0.64) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL1979194 0.92 TSHR (0.65) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL1070844 0.92 ALDH1A1 (0.61) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL7622799 0.90 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL1981094 0.90 TSHR (0.69) ALDH1A1ATMTSHRNAAAHCAR2
Acetic Acid SCHEMBL28461572 0.90 ALDH1A1 (0.65) ALDH1A1ATMTSHRHPGDNAAA

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
EP-1261398-B2 USE OF FLUORINATED KETONES IN FIRE EXTINGUISHING COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2016-04-13 EP disclosed
EP-1362619-B1 Fire extinguishing composition 3M INNOVATIVE PROPERTIES CO (US) 2009-07-15 EP disclosed
EP-1261398-B1 USE OF FLUORINATED KETONES IN FIRE EXTINGUISHING COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2004-09-29 EP disclosed
EP-1362619-A2 Fire extinguishing composition 3M Innovative Properties Company (US) 2003-11-19 EP disclosed
US-6630075-B2 Applying fluorinated ketone containing </= 2 hydrogen atoms and having a boiling point 0-150 degrees c 3M INNOVATIVE PROPERTIES COMPANY 2003-10-07 US disclosed
US-20030089877-A1 Use of fluorinated ketones in fire extinguishing compositions 3M INNOVATIVE PROPERTIES COMPANY 2003-05-15 US disclosed
EP-1261398-A2 USE OF FLUORINATED KETONES IN FIRE EXTINGUISHING COMPOSITIONS 3M Innovative Properties Company (US) 2002-12-04 EP disclosed
US-6478979-B1 Use of fluorinated ketones in fire extinguishing compositions 3M INNOVATIVE PROPERTIES COMPANY 2002-11-12 US disclosed
WO-2001005468-A2 USE OF FLUORINATED KETONES IN FIRE EXTINGUISHING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-01-25 WO 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 (1 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-20030089877-A1 Use of fluorinated ketones in fire extinguishing compositions PFAS, FLNA, PFKFB2 ALDH1A1 1599/4885ATM 2959/4885TSHR 2164/4885

“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.