SCHEMBL27680948

SCHEMBL27680948

FC(F)(F)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KIF11 P52732 3/20 0.41
▸ PTPN1 P18031 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KCNN4 O15554 4/20 0.38
▸ IDO1 P14902 2/20 0.36
▸ TDO2 P48775 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PGK1 P00558 1/20 0.32
▸ PGK2 P07205 1/20 0.32
▸ PTPN5 P54829 1/20 0.31
▸ TRPV6 Q9H1D0 1/20 0.31

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
SCHEMBL8973 0.83 KIF11 (0.48) TSHRALDH1A1KIF11PTPN1MAPK1
SCHEMBL28297324 0.80 KIF11 (0.46) TSHRALDH1A1KIF11PTPN1MAPK1
Bromide SCHEMBL28557682 0.80 KIF11 (0.46) TSHRALDH1A1KIF11PTPN1MAPK1
Fluoride SCHEMBL27919232 0.80 KIF11 (0.46) TSHRALDH1A1KIF11PTPN1MAPK1
Hydrochloric Acid SCHEMBL28556207 0.80 KIF11 (0.46) TSHRALDH1A1KIF11PTPN1MAPK1
Ammonia Solution, Strong SCHEMBL23726528 0.80 KIF11 (0.46) TSHRALDH1A1KIF11PTPN1MAPK1
SCHEMBL8572745 0.77 TSHR (0.42) TSHRALDH1A1KIF11PTPN1MAPK1
Formaldehyde SCHEMBL27751011 0.76 KIF11 (0.43) TSHRALDH1A1KIF11PTPN1MAPK1
SCHEMBL11714749 0.75 TSHR (0.46) TSHRALDH1A1KIF11PTPN1MAPK1
SCHEMBL1436392 0.75 KCNN4 (0.52) TSHRALDH1A1KIF11PTPN1MAPK1

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
CN-101024773-B Liquid crystal aligning agent and liquid crystal display device JSR CORP 2013-01-23 — — CN disclosed
CN-101024773-A Liquid crystal aligning agent and liquid crystal display device JSR CORP (JP) 2007-08-29 — — CN disclosed
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