SCHEMBL28409246

SCHEMBL28409246

O=S(=O)(O)CC(CF)CF

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.42
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 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
SCHEMBL7053481 0.83 SLC22A6 (0.48) SLC22A6TSHRTDP1PTGS1PDE4A
SCHEMBL27767889 0.77
SCHEMBL27462269 0.75 SLC22A6 (0.42) SLC22A6PTGS1PDE4ALMNASLC6A6
SCHEMBL374088 0.75 SLC22A6 (0.42) SLC22A6PTGS1PDE4ALMNASLC6A6
SCHEMBL16109726 0.75 SLC22A6 (0.37) SLC22A6
SCHEMBL4149834 0.75 SLC22A6 (0.37) SLC22A6
SCHEMBL505993 0.75
SCHEMBL2703975 0.73 SLC22A6 (0.40) SLC22A6
SCHEMBL6721936 0.73 SLC22A6 (0.40) SLC22A6
SCHEMBL27463649 0.73 SLC22A6 (0.40) SLC22A6

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-106674085-B Synthesis method of N-1, 3-difluoro isopropyl-4-aminopiperidine compound 苏州汉德创宏生化科技有限公司 2020-06-23 CN claimed
CN-106674085-B Synthesis method of N-1, 3-difluoro isopropyl-4-aminopiperidine compound 苏州汉德创宏生化科技有限公司 2020-06-23 CN disclosed