Fluoride Ion

Fluoride Ion

SCHEMBL7640470

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr+2]1(C2C(C)=Cc3c(-c4cccc5ccccc45)cccc32)CC1.[F-].[F-]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.35
HTR1A P08908 2/20 0.35
KDM1A O60341 1/20 0.33
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
DRD2 P14416 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2A6 P11509 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHFR P00374 1/20 0.31
SLC6A2 P23975 2/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 2/20 0.31

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 SCHEMBL5951783 0.97 HTR7 (0.35) HTR7HTR1AKDM1ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6886266 0.92 HTR7 (0.34) HTR7HTR1AKDM1ASLC6A4SLC6A3
Fluoride Ion SCHEMBL7641950 0.86 KDM4E (0.38) KDM1ASLC6A4SLC6A3DRD2ALDH1A1
Hydrochloric Acid SCHEMBL6895703 0.83 HTR1A (0.39) HTR7HTR1AALDH1A1HPGD
Hydrochloric Acid SCHEMBL388936 0.83 KDM4E (0.38) KDM1ASLC6A4DRD2ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL3679764 0.83 ALDH1A1 (0.33) ALDH1A1MAPK1HPGDL3MBTL1
Fluoride Ion SCHEMBL7636075 0.82 USP30 (0.33) HTR7HTR1ADRD2
Hydrochloric Acid SCHEMBL6554859 0.81 HTR7 (0.33) HTR7HTR1ACA12CA1CA2
Hydrochloric Acid SCHEMBL6889960 0.81 HTR7 (0.33) HTR7HTR1AKDM1ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1032785 0.81 HTR7 (0.33) HTR7HTR1ASLC6A3CA12CA1

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