SCHEMBL8377667

SCHEMBL8377667

O=S(=O)([O-])c1ccccc1F.O=S(=O)([O-])c1ccccc1F.O=S(=O)([O-])c1ccccc1F.[Pr+3]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 1/20 0.42
NFE2L2 Q16236 4/20 0.41
KAT6A Q92794 2/20 0.41
AKR1B1 P15121 1/20 0.41
KCNA5 P22460 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.39
GBA1 P04062 1/20 0.39
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8379675 0.95 ALDH1A1 (0.43) ALDH1A1HSD11B1NFE2L2KAT6AAKR1B1
SCHEMBL8378122 0.95 ALDH1A1 (0.43) ALDH1A1HSD11B1NFE2L2KAT6AAKR1B1
SCHEMBL8379601 0.95 ALDH1A1 (0.43) ALDH1A1HSD11B1NFE2L2KAT6AAKR1B1
SCHEMBL8379110 0.95 ALDH1A1 (0.43) ALDH1A1HSD11B1NFE2L2KAT6AAKR1B1
SCHEMBL8379207 0.95 ALDH1A1 (0.43) ALDH1A1HSD11B1NFE2L2KAT6AAKR1B1
SCHEMBL23202571 0.95 ALDH1A1 (0.43) ALDH1A1HSD11B1NFE2L2KAT6AAKR1B1
SCHEMBL3919687 0.95 ALDH1A1 (0.43) ALDH1A1HSD11B1NFE2L2KAT6AAKR1B1
SCHEMBL8379028 0.95 ALDH1A1 (0.43) ALDH1A1HSD11B1NFE2L2KAT6AAKR1B1
SCHEMBL8379378 0.95 ALDH1A1 (0.43) ALDH1A1HSD11B1NFE2L2KAT6AAKR1B1
SCHEMBL8377669 0.95 ALDH1A1 (0.43) ALDH1A1HSD11B1NFE2L2KAT6AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658552-B1 Process for the preparation of alpha-tocopherol derivatives EISAI CO LTD (JP) 1999-03-31 EP claimed
US-5532387-A CYCLIZATION OF TRIMETHYLHYDROQUINONE AND AN ALKENYL ALCOHOL, REUSABLE CATALYST, IIIB FLUOROSULFONATE, NITRATE, SULFATE, OR FLUOROALKYLSULFONATE EISAI CO., LTD. (JP) 1996-07-02 US claimed
EP-0658552-A1 Process for the preparation of alpha-tocopherol derivatives Eisai Co., Ltd. (JP) 1995-06-21 EP claimed
EP-0658552-B1 Process for the preparation of alpha-tocopherol derivatives EISAI CO LTD (JP) 1999-03-31 EP disclosed
US-5532387-A CYCLIZATION OF TRIMETHYLHYDROQUINONE AND AN ALKENYL ALCOHOL, REUSABLE CATALYST, IIIB FLUOROSULFONATE, NITRATE, SULFATE, OR FLUOROALKYLSULFONATE EISAI CO., LTD. (JP) 1996-07-02 US disclosed
EP-0658552-A1 Process for the preparation of alpha-tocopherol derivatives Eisai Co., Ltd. (JP) 1995-06-21 EP disclosed