SCHEMBL8138014

SCHEMBL8138014

Nc1cc(Oc2ccc(C(F)(F)F)c(Oc3cc(N)cc(C(F)(F)F)c3F)c2)c(F)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.38
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
KIF11 P52732 1/20 0.35
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 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
SCHEMBL8152244 0.90 AR (0.40) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL8145930 0.85 GAA (0.46) ARGLAPOLBGAATSHR
SCHEMBL8151144 0.85 GLA (0.36) ARGLAPOLBGAATSHR
SCHEMBL8147729 0.82 AR (0.39) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL8138832 0.82 KIF11 (0.41) ARGLAPOLBGAATSHR
SCHEMBL8152049 0.82 AR (0.38) ARHTR2ASLC6A4KCNH2RAB9A
SCHEMBL7194607 0.81 GLA (0.46) ARGLAPOLBGAATSHR
SCHEMBL8137088 0.81 AR (0.40) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL8137251 0.81 AR (0.40) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL8145826 0.80 AR (0.42) ARHTR2ASLC6A4KCNH2RAB9A

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
US-6103860-A LOW DIELECTRIC CONSTANT, EXCELLENT TRANSPARENCY, LOW HYGROSCOPICITY AND EXCELLENT PROCESSABILITY; SUBSTRATE FOR AN OPTICAL DISK, A PICK-UP LENS, A PLASTIC SUBSTRATE FOR A LIQUID CELL AND A PRISM MITSUI CHEMICALS, INC. (JP) 2000-08-15 US disclosed
US-5990261-A Organic optical component MITSUI CHEMICALS, INC. (JP) 1999-11-23 US disclosed
EP-0826717-A1 An organic optical component MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-03-04 EP disclosed