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Fluoride Ion

Fluoride Ion

SCHEMBL7639229

CC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Zr+2]1(C2C(C)=Cc3c(C(C)C)cc(C(C)C)cc32)CC1.[F-].[F-]

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ FABP3 P05413 1/20 0.30
▸ FABP4 P15090 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
Hydrochloric Acid SCHEMBL385357 0.97 GABRA1 (0.31) GABRA1GABRB2FABP3FABP4
Hydrochloric Acid SCHEMBL3268925 0.92 — —
Fluoride Ion SCHEMBL7642939 0.81 FAAH (0.32) GABRA1GABRB2
Hydrochloric Acid SCHEMBL8631922 0.79 — —
Hydrochloric Acid SCHEMBL8604940 0.79 — —
Hydrochloric Acid SCHEMBL7929727 0.78 FAAH (0.32) GABRA1GABRB2
Hydrochloric Acid SCHEMBL8635937 0.77 — —
Hydrochloric Acid SCHEMBL4078649 0.76 — —
Fluoride Ion SCHEMBL7636414 0.75 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4
Fluoride Ion SCHEMBL7639206 0.74 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4

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