SCHEMBL9798371

SCHEMBL9798371

FC(F)(F)c1cccc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
KIF11 P52732 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 2/20 0.53
TEAD1 P28347 1/20 0.53
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
ADORA2A P29274 1/20 0.49
KDM4E B2RXH2 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
NR3C1 P04150 1/20 0.47

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
SCHEMBL27579381 0.96 LTA4H (0.59) LTA4HKIF11L3MBTL1ALDH1A1POLB
SCHEMBL9546526 0.94 L3MBTL1 (0.55) LTA4HKIF11L3MBTL1ALDH1A1POLB
SCHEMBL13216570 0.90 CYP2C9 (0.51) LTA4HKIF11L3MBTL1ALDH1A1POLB
SCHEMBL12879325 0.88 AR (0.55) LTA4HKIF11L3MBTL1ALDH1A1POLB
SCHEMBL9546439 0.88 NPSR1 (0.53) LTA4HKIF11L3MBTL1ALDH1A1POLB
SCHEMBL30539120 0.88 TSHR (0.68) LTA4HKIF11L3MBTL1ALDH1A1POLB
SCHEMBL6153537 0.88 TSHR (0.68) LTA4HKIF11L3MBTL1ALDH1A1POLB
SCHEMBL29603301 0.88 NPSR1 (0.53) LTA4HKIF11L3MBTL1ALDH1A1POLB
SCHEMBL6229502 0.88 RAB9A (0.56) LTA4HKIF11L3MBTL1ALDH1A1POLB
SCHEMBL13791556 0.88 L3MBTL1 (0.65) LTA4HKIF11L3MBTL1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590623-B Method for preparing 6-substituted-2-trifluoromethyl phenyl sulfide in continuous flow microchannel reactor 江苏好收成韦恩农化股份有限公司 2022-04-19 CN claimed
CN-111303150-A High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2020-06-19 CN claimed
CN-110590623-A Method for preparing 6-substituted-2-trifluoromethyl phenyl sulfide in continuous flow microchannel reactor 江苏好收成韦恩农化股份有限公司 2019-12-20 CN claimed
US-4990670-A Method of making 1,1'-oxybis (3-nitro-5-trifluoromethyl)-benzene OCCIDENTAL CHEMICAL CORPORATION (US) 1991-02-05 US claimed
CN-110590623-B Method for preparing 6-substituted-2-trifluoromethyl phenyl sulfide in continuous flow microchannel reactor 江苏好收成韦恩农化股份有限公司 2022-04-19 CN disclosed
CN-111303150-B High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2021-10-19 CN disclosed
CN-111303150-A High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2020-06-19 CN disclosed
CN-110590623-A Method for preparing 6-substituted-2-trifluoromethyl phenyl sulfide in continuous flow microchannel reactor 江苏好收成韦恩农化股份有限公司 2019-12-20 CN disclosed