Fluoride Ion

Fluoride Ion

SCHEMBL7640451

CC1=Cc2c(C(C)C)cccc2C1[Zr+2]C1C(C)=Cc2c(C(C)C)cccc21.[F-].[F-]

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
LMNA P02545 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
Hydrochloric Acid SCHEMBL29612270 0.97 GABRA1 (0.34) GABRA1GABRG2GABRB3LMNAFAAH
Hydrochloric Acid SCHEMBL2529411 0.97 GABRA1 (0.34) GABRA1GABRG2GABRB3LMNAFAAH
Hydrochloric Acid SCHEMBL8633278 0.85 CA12 (0.33) CA1CA2TSHR
Fluoride Ion SCHEMBL7643370 0.79 CYP1A2 (0.30) CYP1A2HTR2C
Hydrochloric Acid SCHEMBL29612305 0.79
Fluoride Ion SCHEMBL7639206 0.79 GABRA1 (0.33) GABRA1GABRB2
Hydrochloric Acid SCHEMBL6522495 0.78
Fluoride Ion SCHEMBL7641584 0.78 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNAFAAH
Hydrochloric Acid SCHEMBL8636157 0.76 METAP2 (0.30)
SCHEMBL6261653 0.76 GABRA1 (0.36) GABRA1GABRG2GABRB3LMNAFAAH

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-20020143125-A1 Catalyst component and catalyst system having a high polymerization activity for preparing polymers KAMINSKY WALTER (DE) 2002-10-03 US disclosed
US-6303718-B1 PARTICULARLY A CATALYST SYSTEM CONSISTING OF METALLOCENE FLUORIDES AND ALUMINUM ALKYLS BAYER AKTIENGESELLSCHAFT (DE) 2001-10-16 US disclosed