SCHEMBL9003638

SCHEMBL9003638

CC(C)(C)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC(C#N)=C(C[S+](=O)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL9003662 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9003454 0.80
SCHEMBL307951 0.65 ALDH1A1 (0.37) ALDH1A1
SCHEMBL6117869 0.65 ESR1 (0.48) ALDH1A1
SCHEMBL8757228 0.61 MAPT (0.40) ALDH1A1
SCHEMBL4415163 0.61 ALDH1A1 (0.44) ALDH1A1
SCHEMBL1930563 0.61 CYP19A1 (0.58) ALDH1A1
SCHEMBL14362835 0.61 ALDH1A1 (0.44) ALDH1A1
Hydrochloric Acid SCHEMBL10934651 0.60 MAPT (0.50) ALDH1A1
SCHEMBL16550069 0.60 ALDH1A1 (0.43) ALDH1A1

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-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed