SCHEMBL8550126

SCHEMBL8550126

CCCN(CC1CCOC1)C(=C[N+](=O)[O-])SC

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 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
SCHEMBL8550124 1.00 THRB (0.32) THRB
SCHEMBL8545765 0.90 MLYCD (0.31)
SCHEMBL8545763 0.90 MLYCD (0.31)
SCHEMBL8549159 0.83
SCHEMBL8549157 0.83
SCHEMBL8545861 0.81 THRB (0.33) THRB
SCHEMBL8545859 0.81 THRB (0.33) THRB
SCHEMBL8551570 0.80 THRB (0.33) THRB
SCHEMBL8551568 0.80 THRB (0.33) THRB
SCHEMBL8546302 0.74 THRB (0.33) THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649845-B1 Furanyl insecticide MITSUI CHEMICALS INC (JP) 1998-07-22 EP disclosed
US-5532365-A NITROGUANIDINE COMPOUNDS AS INSECTICIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-02 US disclosed
US-5434181-A FOR USE IN AGRICULTURAL CHEMICALS MITSUI TOATSU CHEMICALS, INC. (JP) 1995-07-18 US disclosed
EP-0649845-A1 Furanyl insecticide MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-04-26 EP disclosed