SCHEMBL3860902

SCHEMBL3860902

CCCCN[Ti]Cc1ccccc1C1=CC(C)=CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
POLB P06746 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
SCHEMBL3199530 0.82 CHRM2 (0.41) BCHEACHE
SCHEMBL3860883 0.79
Hydrochloric Acid SCHEMBL3259838 0.78 POLB (0.33) BCHEACHEPOLB
Hydrochloric Acid SCHEMBL3263035 0.77
Hydrochloric Acid SCHEMBL3264098 0.77 APAF1 (0.33) APAF1ALDH1A1BCHEACHE
Hydrochloric Acid SCHEMBL3261191 0.76
Hydrochloric Acid SCHEMBL3259752 0.75 APAF1 (0.34) APAF1ALDH1A1BCHEACHEPOLB
Hydrochloric Acid SCHEMBL3261599 0.72
SCHEMBL3860900 0.72 LMNA (0.30)
Hydrochloric Acid SCHEMBL3257753 0.71

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-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed