SCHEMBL27860909

SCHEMBL27860909

CCCSc1c(OCC(F)F)cccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
APLNR P35414 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
PTGS2 P35354 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL6676898 0.83 PIM1 (0.36) ARAPLNRKDM4EKCNK3KCNK9
SCHEMBL28769171 0.83 GRK3 (0.33) ARKCNK3KCNK9HCRTR1HCRTR2
SCHEMBL30874294 0.83 GRK3 (0.33) ARKCNK3KCNK9HCRTR1HCRTR2
SCHEMBL6679512 0.81 ATM (0.39) ARAPLNRKDM4EPTGS2
SCHEMBL28219895 0.74 RXRA (0.46) PTGS2
SCHEMBL6681359 0.73 AR (0.41) ARAPLNRKDM4EPTGS2
SCHEMBL19756388 0.73 MAPT (0.37) KCNK3KCNK9HCRTR1HCRTR2
SCHEMBL31037150 0.72 MRGPRX4 (0.37) KCNK3KCNK9HCRTR1HCRTR2
SCHEMBL31037148 0.72 MRGPRX4 (0.37) KCNK3KCNK9HCRTR1HCRTR2
SCHEMBL28995384 0.72 AR (0.40) ARAPLNRKDM4EPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115703726-B Trifluoromethyl phenyl sulfide compound 上海泰初化工技术有限公司 2024-04-02 CN disclosed
CN-115703726-A Trifluoromethyl phenyl sulfide compound 上海泰初化工技术有限公司 2023-02-17 CN disclosed
CN-112939818-B Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride 江苏扬农化工股份有限公司 2022-05-24 CN disclosed
CN-112939818-A Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride 江苏扬农化工股份有限公司 2021-06-11 CN disclosed
CN-105801454-A Method for preparation of 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride 沈阳中化农药化工研发有限公司 2016-07-27 CN disclosed
CN-102001979-B Preparation method of 2-(2', 2'-difluoroethoxyl)-6-trifluoromethyl phenyl propyl sulfide UNIV SHANGHAI ENG SCIENCE 2013-07-31 CN disclosed
CN-102001979-B Preparation method of 2-(2', 2'-difluoroethoxyl)-6-trifluoromethyl phenyl propyl sulfide UNIV SHANGHAI ENG SCIENCE 2013-07-31 CN disclosed
CN-102001979-A Preparation method of 2-(2', 2'-difluoroethoxyl)-6-trifluoromethyl phenyl propyl sulfide UNIV SHANGHAI ENG SCIENCE 2011-04-06 CN disclosed
CN-102001979-A Preparation method of 2-(2', 2'-difluoroethoxyl)-6-trifluoromethyl phenyl propyl sulfide UNIV SHANGHAI ENG SCIENCE 2011-04-06 CN disclosed