Fluoride Ion

Fluoride Ion

SCHEMBL7109720

CC(=O)N[Ti+]NC(C)=O.CC(=O)N[Ti+]NC(C)=O.[F-].[F-]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
CA2 P00918 1/20 0.41
PTGS1 P23219 1/20 0.41
MMP12 P39900 1/20 0.41
NFKB1 P19838 1/20 0.39
LMNA P02545 1/20 0.33
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
TAS2R38 P59533 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 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
Bromide SCHEMBL7109879 0.93 KDM4E (0.41) KDM4ECA2PTGS1MMP12NFKB1
Hydrochloric Acid SCHEMBL7109206 0.93 KDM4E (0.41) KDM4ECA2PTGS1MMP12NFKB1
SCHEMBL1276127 0.59
SCHEMBL20411614 0.59
SCHEMBL28845307 0.59 LMNA (0.46) KDM4ECA2PTGS1MMP12NFKB1
SCHEMBL18510170 0.59
SCHEMBL2401765 0.59 KDM4E (0.54) KDM4ECA2PTGS1MMP12NFKB1
Diacetamide SCHEMBL97089 0.59
Acetohydroxamic Acid SCHEMBL14492 0.59
SCHEMBL4397 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0834514-B1 Process for synthesizing metallocene compounds KANTO KAGAKU (JP) 2003-10-22 EP disclosed
US-5892075-A Process for synthesizing metallocene compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 1999-04-06 US disclosed
EP-0834514-A2 Process for synthesizing metallocene compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 1998-04-08 EP disclosed