SCHEMBL8417596

SCHEMBL8417596

O=C(O)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=C(O)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)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 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
LMNA P02545 1/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5915219 1.00 THRB (0.62) THRBLMNACA2CA1MMP1
SCHEMBL8671924 1.00 THRB (0.62) THRBLMNACA2CA1MMP1
SCHEMBL28446928 1.00 THRB (0.62) THRBLMNACA2CA1MMP1
SCHEMBL8076744 1.00 THRB (0.62) THRBLMNACA2CA1MMP1
SCHEMBL7647628 0.97 THRB (0.59) THRBLMNACA2CA1MMP1
SCHEMBL10421655 0.97 THRB (0.59) THRBLMNACA2CA1MMP1
SCHEMBL11538524 0.97 THRB (0.57) THRBLMNACA2CA1MMP1
SCHEMBL11536909 0.94 THRB (0.55) THRBLMNACA2CA1MMP1
SCHEMBL31580236 0.92 THRB (0.59) THRBLMNACA2CA1MMP1
SCHEMBL7652790 0.92 THRB (0.59) THRBLMNACA2CA1MMP1

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
EP-0937019-A1 METHOD FOR PREPARING PERFLUOROCARBON-SUBSTITUTED METHANOLS Exfluor Research Corporation (US) 1999-08-25 EP disclosed
WO-1998012163-A1 METHOD FOR PREPARING PERFLUOROCARBON-SUBSTITUTED METHANOLS EXFLUOR RESEARCH CORPORATION (US) 1998-03-26 WO disclosed