SCHEMBL6053301

SCHEMBL6053301

O=P(O)(O)C(F)(F)C(F)(F)F.[BaH2]

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 7/20 0.58
PGK2 P07205 7/20 0.58
PTPN1 P18031 3/20 0.35
LMNA P02545 1/20 0.33
FDPS P14324 2/20 0.32
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
PTPN5 P54829 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
SCHEMBL1542035 0.97 PGK1 (0.61) PGK1PGK2PTPN1LMNAFDPS
Hydrochloric Acid SCHEMBL18641130 0.93 PGK1 (0.58) PGK1PGK2PTPN1LMNAFDPS
SCHEMBL1235045 0.82 PGK1 (0.69) PGK1PGK2PTPN1LMNAFDPS
SCHEMBL1541142 0.78 PGK1 (0.55) PGK1PGK2PTPN1LMNAFDPS
SCHEMBL12762079 0.76 PGK1 (0.61) PGK1PGK2PTPN1LMNAFDPS
SCHEMBL12762109 0.76 PGK1 (0.61) PGK1PGK2PTPN1LMNAFDPS
SCHEMBL186903 0.76 PGK1 (0.45) PGK1PGK2PTPN1
SCHEMBL442637 0.75 PGK1 (0.52) PGK1PGK2PTPN1LMNA
SCHEMBL3803058 0.75 PGK1 (0.52) PGK1PGK2PTPN1LMNA
SCHEMBL12762061 0.73 PGK1 (0.58) PGK1PGK2PTPN1LMNAFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 664/4885PTPN1 956/4885

“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.