SCHEMBL6904369

SCHEMBL6904369

O=C([S])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
LMNA P02545 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
SCHEMBL6724895 0.91 THRB (0.43) THRB
SCHEMBL6729386 0.78 THRB (0.35) THRB
SCHEMBL29133533 0.75 THRB (0.60) THRBCA1CA2MMP1MMP2
SCHEMBL64889 0.73 THRB (0.94) THRBCA1CA2MMP1MMP2
SCHEMBL20478151 0.73 THRB (0.65) THRBCA1CA2MMP1MMP2
SCHEMBL28417455 0.73 THRB (0.65) THRBCA1CA2MMP1MMP2
SCHEMBL1766828 0.73 THRB (0.57) THRBCA1CA2MMP1MMP2
SCHEMBL20478148 0.73 THRB (0.65) THRBCA1CA2MMP1MMP2
SCHEMBL425501 0.73 THRB (0.57) THRBCA1CA2MMP1MMP2
SCHEMBL28030131 0.73 THRB (0.65) THRBCA1CA2MMP1MMP2

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-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed