SCHEMBL7694976

SCHEMBL7694976

[SiH3][SiH](Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
TSHR P16473 1/20 0.45
CA4 P22748 1/20 0.41
KCNA3 P22001 1/20 0.38
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
NR1H2 P55055 1/20 0.35
BAX Q07812 1/20 0.35
MAOA P21397 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
RECQL P46063 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SRC P12931 1/20 0.33
SRD5A2 P31213 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL275159 0.81 LTA4H (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL7698665 0.78 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL2115686 0.72 CA4 (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL7058914 0.72 CA4 (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL6948515 0.71 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL6840036 0.71 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL2354326 0.71 CA4 (0.48) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL310041 0.71 CA4 (0.48) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL705308 0.71 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL27882572 0.71 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A

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-6344579-B1 REACTION OF FLUOROSILICON COMPOUND WITH REACTION OF SILICON WITH HYDROXY, ALKOXY OR ARYLOXY GROUP WITH DIFLUORODIAMINO COMPOUND MITSUI CHEMICALS, INC. (JP) 2002-02-05 US disclosed
EP-1138633-A1 PROCESS FOR PRODUCING FLUORINATED SILICON COMPOUND Mitsui Chemicals, Inc. (JP) 2001-10-04 EP disclosed