Fluoride

Fluoride

SCHEMBL4907712

C=CCN([S])CC=C.C=CCN([S])CC=C.C=CCN([S])CC=C.F.F.F

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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 SCHEMBL11497479 1.00
Fluoride SCHEMBL10706543 1.00 ALDH1A1 (0.31) ALDH1A1
Fluoride SCHEMBL84275 1.00 ALDH1A1 (0.31) ALDH1A1
Fluoride SCHEMBL10706553 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1270517 0.96
Fluoride SCHEMBL1264751 0.69 TSHR (0.40) ALDH1A1
Fluoride SCHEMBL635869 0.69 TSHR (0.40) ALDH1A1
SCHEMBL9056715 0.67
SCHEMBL7828526 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11070461 0.65 ALDH1A1 (0.35) ALDH1A1

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 ALDH1A1 1783/4885

“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.