SCHEMBL4855702

SCHEMBL4855702

CCOCCOCC[N+](C)(C)CCOCCOCC.F[B-](F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 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
SCHEMBL4847835 0.92
SCHEMBL4859465 0.92
SCHEMBL4853793 0.91 DNM1 (0.32) ALDH1A1TSHR
SCHEMBL25834242 0.91 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL25834246 0.88 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL4850722 0.86 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL17418953 0.85 ALDH1A1 (0.43) ALDH1A1TSHR
Iodide SCHEMBL30869362 0.83 ALDH1A1 (0.41) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL30869372 0.83 ALDH1A1 (0.41) ALDH1A1TSHR
Bromide SCHEMBL30869335 0.83 ALDH1A1 (0.41) ALDH1A1TSHR

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
US-7411092-B2 Quaternary ammonium salts KOEI CHEMICAL COMPANY, LIMITED (JP) 2008-08-12 US disclosed
US-20060166103-A1 Quaternary ammonium salts KOEI CHEMICAL COMPANY, LIMITED (JP) 2006-07-27 US disclosed
EP-1595863-A1 QUATERNARY AMMONIUM SALTS KOEI CHEMICAL CO., LTD. (JP) 2005-11-16 EP disclosed