SCHEMBL8137165

SCHEMBL8137165

Nc1ccc(F)c(Oc2c(C(F)(F)F)cc(C(F)(F)F)c(Oc3c(F)ccc(N)c3F)c2F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.35
KIF11 P52732 1/20 0.34
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL8144423 0.95 KIF11 (0.33) MPLKIF11GLAPOLBGAA
SCHEMBL8145208 0.89 KIF11 (0.37) KIF11GLAPOLBGAATSHR
SCHEMBL8145690 0.85 KDM4E (0.36) MPLKIF11GLAPOLBGAA
SCHEMBL8145468 0.84 KIF11 (0.31) KIF11
SCHEMBL8147433 0.84 KIF11 (0.31) KIF11
SCHEMBL8152761 0.83 KDM4E (0.34) MPLKIF11ALDH1A1KDM4EMAPT
SCHEMBL8146743 0.83 KDM4E (0.34) KIF11KDM4EMAPTCRHBPCRHR2
SCHEMBL8146504 0.81 KDM4E (0.31) KDM4EMAPTCRHBPCRHR2
SCHEMBL8138444 0.79 KDM4E (0.32) KDM4EMAPTCRHBPCRHR2
SCHEMBL8146805 0.79 KDM4E (0.33) KDM4EMAPTCRHBPCRHR2

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