SCHEMBL11021322

SCHEMBL11021322

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

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36

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
SCHEMBL28026597 0.80 THRB (0.43) THRB
SCHEMBL8097520 0.78 THRB (0.38) THRB
Hydrochloric Acid SCHEMBL11051992 0.77 THRB (0.35) THRB
Iodide SCHEMBL28825432 0.77 THRB (0.35) THRB
SCHEMBL9485425 0.75 THRB (0.42) THRB
SCHEMBL28739445 0.73 ALDH1A1 (0.30)
SCHEMBL11021321 0.72 CA2 (0.45) THRB
SCHEMBL6260269 0.72 CA2 (0.45) THRB
SCHEMBL10881496 0.71 THRB (0.54) THRB
SCHEMBL20561003 0.71 THRB (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0073863-B1 FLUORINE-CONTAINING AMINOSULFONATE DAINIPPON INK AND CHEMICALS, INC. (JP) 1985-07-03 EP disclosed
US-4431595-A AMPHOTERIC SURFACTANTS; DETERGENTS; FIRE EXTINGUISHERS; WETTING AND FOAMING AGENTS DAINIPPON INK & CHEMICALS, INC. (JP) 1984-02-14 US disclosed
EP-0073863-A1 Fluorine-containing aminosulfonate DAINIPPON INK AND CHEMICALS, INC. (JP) 1983-03-16 EP disclosed