Fluoride Ion

Fluoride Ion

SCHEMBL7639237

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr+2]C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.[F-].[F-]

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
ALDH1A1 P00352 3/20 0.34
CYP2A6 P11509 1/20 0.34
DHFR P00374 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TDP2 O95551 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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 SCHEMBL2525067 0.97 CA12 (0.36) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL29612287 0.97 CA12 (0.36) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL7933266 0.88 MAPT (0.34) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL3680021 0.87 MAOA (0.38) CA12CA1CA2CA9CYP2A6
Hydrochloric Acid SCHEMBL2524667 0.87 CA12 (0.31) CA12CA1CA2CA9MAPT
Fluoride Ion SCHEMBL7643349 0.84 ALDH1A1 (0.38) ALDH1A1CYP2A6KDM4EHPGDMAPT
Hydrochloric Acid SCHEMBL7644802 0.84 CA12 (0.31) CA12CA1CA2CA9MAOA
Hydrochloric Acid SCHEMBL5689878 0.83 CA12 (0.33) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL8848499 0.83 CA12 (0.33) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL17698617 0.83 CA12 (0.33) CA12CA1CA2CA9ALDH1A1

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