SCHEMBL3816967

SCHEMBL3816967

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

nearest known ligand 0.30

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 SCHEMBL6053259 0.93 SLC34A1 (0.33) PGK1PGK2
SCHEMBL17748719 0.93 KDM4E (0.30) PGK1PGK2
SCHEMBL3815164 0.79 CA1 (0.31)
Tetrylammonium SCHEMBL3813154 0.77 TSHR (0.36)
Potassium Ion SCHEMBL3272040 0.73 SLC34A1 (0.33) PGK1PGK2
SCHEMBL15136602 0.73 KDM4E (0.30) PGK1PGK2
SCHEMBL15136323 0.73 PGK1 (0.30) PGK1PGK2
SCHEMBL16346604 0.73 PGK1 (0.30) PGK1PGK2
SCHEMBL12469732 0.73 PGK1 (0.30) PGK1PGK2
Silver SCHEMBL18668196 0.73 PGK1 (0.30) PGK1PGK2

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-1495036-B1 METHOD FOR THE PRODUCTION OF MONOHYDRO-PERFLUOROALKANES, BIS(PERFLUOROALKYL)PHOSPHINATES, AND PERFLUOROALKYLPHOSPHONATES MERCK PATENT GMBH (DE) 2009-08-19 EP disclosed
US-7145004-B2 Method for the production of monohydro-perfluoroalkanes, bis(perfluoroalkyl)phosphinates and perfluoroalkylphosphonates MERCK PATENT GESELLSCHAFT (DE) 2006-12-05 US disclosed
US-20050222411-A1 Method for the production of monohydro-perfluoroalkanes, bis (perfluoroalkyl) phosphinates and perfluoroalkylphosphonates MERCK PATENT GMBH (DE) 2005-10-06 US disclosed
EP-1495036-A1 METHOD FOR THE PRODUCTION OF MONOHYDRO-PERFLUOROALKANES, BIS(PERFLUOROALKYL)PHOSPHINATES, AND PERFLUOROALKYLPHOSPHONATES MERCK PATENT GmbH (DE) 2005-01-12 EP disclosed
WO-2003087111-A1 METHOD FOR THE PRODUCTION OF MONOHYDRO-PERFLUOROALKANES, BIS(PERFLUOROALKYL)PHOSPHINATES, AND PERFLUOROALKYLPHOSPHONATES MERCK PATENT GMBH (DE) 2003-10-23 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-20050222411-A1 Method for the production of monohydro-perfluoroalkanes, bis (perfluoroalkyl) phosphinates and perfluoroalkylphosphonates PFAS, PFKFB2, PHOSPHO1 PGK1 670/4885PGK2 664/4885

“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.