SCHEMBL8979422

SCHEMBL8979422

C=Cc1ccc([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1.CCCC[NH+](CCCC)CCCC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
Trimethylammonium SCHEMBL8979528 0.82 ALDH1A1 (0.39) ALDH1A1
SCHEMBL21086754 0.82 ALDH1A1 (0.46) ALDH1A1
SCHEMBL6053918 0.81 ESR1 (0.34) ALDH1A1
SCHEMBL6054032 0.78
SCHEMBL26019073 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL26741742 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6054019 0.77
SCHEMBL134375 0.77
SCHEMBL6054046 0.76
SCHEMBL6053962 0.76

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
EP-0710663-A1 Boron-containing compound, its polymer, catalyst comprising the polymer and metallocene compound, and process for producing polyolefin Japan Polyolefins Co., Ltd. (JP) 1996-05-08 EP disclosed