SCHEMBL29288263

SCHEMBL29288263

FC(F)(F)C(c1ccccc1)C1C=Cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
SIGMAR1 Q99720 4/20 0.31

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
SCHEMBL5702757 0.78 SIGMAR1 (0.36) HTR6HTR2ASIGMAR1
SCHEMBL7639864 0.78 HTR2A (0.35) HTR6HTR2ASIGMAR1
SCHEMBL9779213 0.78 SIGMAR1 (0.36) HTR6HTR2ASIGMAR1
SCHEMBL4559121 0.75 EPHX1 (0.38) HTR6HTR2ASIGMAR1
SCHEMBL30084537 0.75 SIGMAR1 (0.38) HTR6HTR2ASIGMAR1
SCHEMBL7600997 0.71 EPHX1 (0.42) HTR6HTR2ASIGMAR1
SCHEMBL11038886 0.71 CHRNB4 (0.38) HTR6HTR2ASIGMAR1
SCHEMBL20550668 0.70 SIGMAR1 (0.34) HTR6HTR2ASIGMAR1
SCHEMBL9056494 0.70 HTR2A (0.38) HTR6HTR2ASIGMAR1
SCHEMBL668104 0.70 SIGMAR1 (0.38) HTR6HTR2ASIGMAR1

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-113461578-B Green synthesis method of functionalized sulfoxide compound 淮北师范大学 2023-03-31 CN claimed
CN-113461578-A Green synthesis method of functionalized sulfoxide compound 淮北师范大学 2021-10-01 CN claimed
CN-113461578-B Green synthesis method of functionalized sulfoxide compound 淮北师范大学 2023-03-31 CN disclosed
CN-113461578-A Green synthesis method of functionalized sulfoxide compound 淮北师范大学 2021-10-01 CN disclosed