Fluoride

Fluoride

SCHEMBL7640642

CC1=Cc2c(C(C)C)cccc2C1[Zr](C)(C)(=[SiH2])C1C(C)=Cc2c(C(C)C)cccc21.F.F

nearest known ligand 0.32

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
HTR2B P41595 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL5788444 0.98 GABRA1 (0.32) FAAHCA1CA2LMNACYP1A2
Hydrochloric Acid SCHEMBL271816 0.97 FAAH (0.32) FAAHCA1CA2LMNACYP1A2
SCHEMBL4135268 0.89 FAAH (0.37) FAAHCA1CA2LMNACYP1A2
SCHEMBL4001901 0.86 FAAH (0.34) FAAHCA1CA2LMNACYP1A2
SCHEMBL7048432 0.83 ALDH1A1 (0.31) TSHR
Hydrochloric Acid SCHEMBL389318 0.82 ALDH1A1 (0.30) TSHR
SCHEMBL7050081 0.82
Hydrochloric Acid SCHEMBL2513977 0.82 FAAH (0.32) FAAHCA1CA2LMNACYP1A2
Fluoride SCHEMBL7636884 0.81
SCHEMBL5346908 0.81 FAAH (0.31) FAAHCA1CA2LMNACYP1A2

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