Fluoride

Fluoride

SCHEMBL4884014

F.F.F.[S]N1CCOCC1.[S]N1CCOCC1.[S]N1CCOCC1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.42
CA12 O43570 6/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
CA2 P00918 4/20 0.41
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
FAAH O00519 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PHGDH O43175 1/20 0.39
ALDH2 P05091 1/20 0.39
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.36
TTR P02766 1/20 0.36
GLA P06280 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1871136 1.00
Fluoride SCHEMBL526120 1.00 MGLL (0.42) MGLLCA12CA1CA9CA2
Fluoride SCHEMBL7482976 1.00
SCHEMBL1870030 0.73
SCHEMBL3364313 0.67
SCHEMBL10599432 0.67 MGLL (0.47) MGLLCA12CA1CA9CA2
Fluoride SCHEMBL3216899 0.67
SCHEMBL236146 0.67 MGLL (0.47) MGLLCA12CA1CA9CA2
SCHEMBL11829900 0.67 MGLL (0.40) MGLLCA12CA1CA9CA2
Hydrogen Peroxide SCHEMBL11793831 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167488-A1 Process for the Preparation of Geminal ((Difluorocycloalkyl)Methyl) Amines ASTRAZENECA AB (SE) 2008-07-10 US claimed
EP-1912930-A1 PROCESS FOR THE PREPARATION OF GEMINAL ((DIFLUOROCYCLOALKYL)METHYL) AMINES. AstraZeneca AB (SE) 2008-04-23 EP claimed
WO-2007013848-A1 PROCESS FOR THE PREPARATION OF GEMINAL ((DIFLUOROCYCLOALKYL)METHYL) AMINES. ASTRAZENECA AB (SE) 2007-02-01 WO claimed
US-20080167488-A1 Process for the Preparation of Geminal ((Difluorocycloalkyl)Methyl) Amines ASTRAZENECA AB (SE) 2008-07-10 US disclosed
EP-1912930-A1 PROCESS FOR THE PREPARATION OF GEMINAL ((DIFLUOROCYCLOALKYL)METHYL) AMINES. AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007013848-A1 PROCESS FOR THE PREPARATION OF GEMINAL ((DIFLUOROCYCLOALKYL)METHYL) AMINES. ASTRAZENECA AB (SE) 2007-02-01 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-20080167488-A1 Process for the Preparation of Geminal ((Difluorocycloalkyl)Methyl) Amines GMNN, GNMT, DNMT1 MGLL 560/4885CA12 3328/4885CA1 3735/4885

“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.