SCHEMBL28046559

SCHEMBL28046559

FC(F)COc1ccccc1C(F)(F)F.O=S(=O)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
PPARG P37231 2/20 0.40
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
NOTUM Q6P988 1/20 0.38
FAAH O00519 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
MCL1 Q07820 1/20 0.36
ENPP2 Q13822 3/20 0.36
SSTR4 P31391 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL28219895 0.90 RXRA (0.46) RXRARXRBRXRGMRGPRX4SLC22A12
SCHEMBL4394385 0.84 SLC22A12 (0.36) RXRARXRBRXRGMRGPRX4SLC22A12
SCHEMBL29431092 0.84 SLC22A12 (0.36) RXRARXRBRXRGMRGPRX4SLC22A12
SCHEMBL31037153 0.82 SLC22A12 (0.35) RXRARXRBRXRGMRGPRX4SLC22A12
SCHEMBL30130262 0.78 MRGPRX4 (0.36) RXRARXRBRXRGMRGPRX4SLC22A12
SCHEMBL29115260 0.78 SLC22A12 (0.36) RXRARXRBRXRGMRGPRX4SLC22A12
SCHEMBL30839044 0.78 SLC22A12 (0.36) RXRARXRBRXRGMRGPRX4SLC22A12
SCHEMBL31037149 0.76 METAP2 (0.39) RXRARXRBRXRGMRGPRX4SLC22A12
SCHEMBL16232103 0.75 MAPT (0.55) RXRARXRBRXRG
SCHEMBL2608851 0.75 RXRA (0.45) RXRARXRBRXRGMRGPRX4PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294515-A Preparation method of 2-(2',2'-difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride TIANJIN MODERN VOCATIONAL TECHNOLOGY COLLEGE 2016-02-03 CN claimed
CN-109803970-A New model, the Its Preparation Method And Use of penoxsuam 江苏龙灯化学有限公司 2019-05-24 CN disclosed
CN-104557800-B 2-phenoxyl tetrahydrofuran (tetrahydropyrane) derivatives and application thereof in synthesis of penoxsulam 常州大学 2017-04-26 CN disclosed
CN-105294515-A Preparation method of 2-(2',2'-difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride TIANJIN MODERN VOCATIONAL TECHNOLOGY COLLEGE 2016-02-03 CN disclosed