SCHEMBL30772129

SCHEMBL30772129

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.64
ACLY P53396 2/20 0.39
TET2 Q6N021 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL9145992 0.97 THRB (0.68) THRBACLYTET2CA1CA2
SCHEMBL756867 0.90 THRB (0.56) THRBACLYTET2
SCHEMBL28419714 0.86 THRB (0.59) THRBACLY
SCHEMBL9068682 0.83 THRB (0.52) THRBACLYTET2
SCHEMBL8571442 0.82 THRB (0.76) THRBACLYTET2CA1CA2
SCHEMBL3221510 0.82 THRB (0.48) THRBACLY
SCHEMBL5915193 0.82 THRB (0.76) THRBACLYTET2CA1CA2
SCHEMBL28642164 0.81 THRB (0.67) THRBACLYTET2
SCHEMBL64889 0.80 THRB (0.94) THRBACLYTET2CA1CA2
Ammonia Solution, Strong SCHEMBL516989 0.80 THRB (0.50) THRBACLYTET2

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-117510963-A Polyether polyol microemulsion, preparation method and application thereof 浙江诺亚氟化工有限公司 2024-02-06 CN disclosed