SCHEMBL5690122

SCHEMBL5690122

FC(F)(F)c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.F[B-](F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.44
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.35
TRPV6 Q9H1D0 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MPI P34949 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
EPHX2 P34913 2/20 0.33
RAB9A P51151 2/20 0.33
CTDSP1 Q9GZU7 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 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
SCHEMBL5691792 0.81 TSHR (0.38) KIF11ALDH1A1TSHRMPIPHOSPHO1
SCHEMBL9149028 0.81 ACHE (0.34)
SCHEMBL2231298 0.76 TSHR (0.38) KIF11TSHRMPIPHOSPHO1ABCG2
SCHEMBL29505884 0.76 TSHR (0.38) KIF11TSHRMPIPHOSPHO1ABCG2
SCHEMBL5691754 0.75 TSHR (0.41) KIF11ALDH1A1TSHRMPIPHOSPHO1
SCHEMBL30951257 0.75 TSHR (0.41) KIF11ALDH1A1TSHRMPIPHOSPHO1
Hydrochloric Acid SCHEMBL31108779 0.74 TSHR (0.40) KIF11ALDH1A1TSHRMPIPHOSPHO1
SCHEMBL98607 0.72 KIF11 (0.41) KIF11ALDH1A1TSHRBACE1MEN1
SCHEMBL30118169 0.72 GLA (0.34) ALDH1A1RAB9ACYP3A4MAPT
SCHEMBL1059475 0.72 GLA (0.34) ALDH1A1RAB9ACYP3A4MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642172-A2 COMPOSITIONS COMPRISING PHOTOACID GENERATORS AZ Electronic Materials USA Corp. (US) 2006-04-05 EP disclosed
WO-2005003858-A2 COMPOSITIONS COMPRISING PHOTOACID GENERATORS AZ ELECTRONIC MATERIALS USA CORP. (US) 2005-01-13 WO disclosed
US-20040265733-A1 Photoacid generators AZ ELECTRONIC MATERIALS USA CORP. 2004-12-30 US disclosed