SCHEMBL5337470

SCHEMBL5337470

CC(F)(C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CA2 P00918 6/20 0.33
CA1 P00915 5/20 0.33
MMP1 P03956 4/20 0.33
MMP2 P08253 4/20 0.33
MMP9 P14780 4/20 0.33
MMP8 P22894 4/20 0.33
MMP13 P45452 4/20 0.33
LMNA P02545 1/20 0.33
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL5336890 1.00 THRB (0.56) THRBALDH1A1TSHRCA2CA1
SCHEMBL1790510 1.00 THRB (0.56) THRBALDH1A1TSHRCA2CA1
SCHEMBL497440 1.00 THRB (0.56) THRBALDH1A1TSHRCA2CA1
SCHEMBL28371881 0.89 THRB (0.48) THRBALDH1A1TSHRCA2CA1
SCHEMBL28925386 0.79 THRB (0.56) THRBALDH1A1TSHRCA2CA1
SCHEMBL1790667 0.77 ALDH1A1 (0.44) THRBALDH1A1TSHRLMNA
Acetic Acid SCHEMBL28332245 0.77 THRB (0.60) THRBALDH1A1TSHRCA2CA1
SCHEMBL28293544 0.77 THRB (0.68) THRBALDH1A1TSHRCA2CA1
Fluoride SCHEMBL10825823 0.77 THRB (0.37) THRBALDH1A1TSHR
SCHEMBL26348102 0.77 THRB (0.54) THRBALDH1A1TSHRCA2CA1

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
US-7297461-B2 Radiation sensitive resin composition JSR CORPORATION (JP) 2007-11-20 US disclosed
US-20050171226-A1 Radiation sensitive resin composition JSR CORPORATION (JP) 2005-08-04 US disclosed