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SCHEMBL9145992

SCHEMBL9145992

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.68
▸ ACLY P53396 2/20 0.38
▸ CA2 P00918 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TET2 Q6N021 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
SCHEMBL30772129 0.97 THRB (0.64) THRBACLYCA2CA1MMP1
SCHEMBL756867 0.92 THRB (0.56) THRBACLYTET2
SCHEMBL5915193 0.85 THRB (0.76) THRBACLYCA2CA1MMP1
SCHEMBL8571442 0.85 THRB (0.76) THRBACLYCA2CA1MMP1
SCHEMBL28419714 0.84 THRB (0.59) THRBACLY
SCHEMBL11794828 0.82 THRB (0.71) THRBACLYTET2
SCHEMBL10799668 0.82 THRB (0.71) THRBACLYTET2
SCHEMBL28659419 0.82 THRB (0.71) THRBACLYTET2
SCHEMBL25223581 0.81 THRB (1.00) THRBACLYCA2CA1MMP1
SCHEMBL3628434 0.81 THRB (1.00) THRBACLYCA2CA1MMP1

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
US-5455373-A Method of producing perfluorocarbon halides EXFLUOR RESEARCH CORPORATION (US) 1995-10-03 — — US disclosed