SCHEMBL28349059

SCHEMBL28349059

NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.32
THRB P10828 1/20 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
SCHEMBL27142296 0.93 TSHR (0.40) TSHRKDM4ETDP1USP2MAPT
SCHEMBL22655254 0.82 TSHR (0.34) TSHRKDM4ETDP1USP2MAPT
SCHEMBL27096224 0.82 THRB (0.41) TDP1THRB
SCHEMBL27096212 0.79 THRB (0.46) TDP1THRB
SCHEMBL1554409 0.79 THRB (0.46) TDP1THRB
SCHEMBL1132953 0.78 THRB (0.54) TSHRKDM4ETDP1USP2MAPT
SCHEMBL5487374 0.76 THRB (0.58) TSHRKDM4ETDP1USP2MAPT
SCHEMBL5486150 0.76 THRB (0.58) TSHRKDM4ETDP1USP2MAPT
SCHEMBL5496340 0.76 THRB (0.58) TSHRKDM4ETDP1USP2MAPT
SCHEMBL198315 0.76 THRB (0.58) TSHRKDM4ETDP1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107469731-B Fluorine-containing sulfonic acid type zwitterionic surfactant and preparation method thereof 江苏理文化工有限公司 2020-01-24 CN disclosed