SCHEMBL12469732

SCHEMBL12469732

O=P([O-])(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.O=P([O-])(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Mg+2]

nearest known ligand 0.30

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30

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
Potassium Ion SCHEMBL3272040 0.93 SLC34A1 (0.33) PGK1PGK2
SCHEMBL16346604 0.93 PGK1 (0.30) PGK1PGK2
Lithium Ion SCHEMBL4017890 0.93 PGK1 (0.30) PGK1PGK2
SCHEMBL15136602 0.93 KDM4E (0.30) PGK1PGK2
Silver SCHEMBL18668196 0.93 PGK1 (0.30) PGK1PGK2
SCHEMBL15136323 0.93 PGK1 (0.30) PGK1PGK2
Tetramethylammonium Ion SCHEMBL12469916 0.85
Tetrylammonium SCHEMBL3271235 0.77 TSHR (0.36)
SCHEMBL15229857 0.75
Silver SCHEMBL15232747 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621939-B1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS MERCK PATENT GMBH (DE) 2015-06-10 EP disclosed
US-8846922-B2 Functionalized fluoroalkyl fluorophosphate salts MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
EP-2621939-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS Merck Patent GmbH (DE) 2013-08-07 EP disclosed
US-20130197228-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-01 US disclosed
WO-2012048772-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS MERCK PATENT GMBH (DE) 2012-04-19 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-20130197228-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS INPPL1, INPP5D, PLCB3 PGK1 3367/4885PGK2 3076/4885

“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.