SCHEMBL28092325

SCHEMBL28092325

F[B-](F)(F)F.Ic1ccc(Oc2ccccc2)cc1.[H+]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.52
TSHR P16473 1/20 0.52
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
MAOA P21397 1/20 0.46
APP P05067 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GSTP1 P09211 1/20 0.39
SOS1 Q07889 1/20 0.39
CA9 Q16790 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PLA2G2A P14555 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NLRP3 Q96P20 1/20 0.38

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
SCHEMBL27597197 0.98 LTA4H (0.55) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL4698 0.89 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL7011620 0.83 LTA4H (0.75) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL28563298 0.83 LTA4H (0.75) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL3841043 0.78 LTA4H (0.50) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL3845620 0.78 LTA4H (0.50) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL2883028 0.78 LTA4H (0.50) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL20879853 0.77 LTA4H (0.50) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL5695841 0.76 LTA4H (0.55) LTA4HTSHRNR1H2BAXMAOA
Iodobenzene SCHEMBL1728605 0.75 ALDH1A1 (0.41) TSHRAPPNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105917275-A Liquid photoreactive composition and method of fabricating a structure 3M创新有限公司 2016-08-31 CN disclosed