SCHEMBL20124025

SCHEMBL20124025

C=C=NCC1(C)CC(N)CC(C)(CC)C1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL17813310 0.77
SCHEMBL18469077 0.74 MEN1 (0.31)
SCHEMBL47332 0.71 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL27473411 0.70 GRIN2D (0.32)
SCHEMBL7752388 0.70 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL22958473 0.68 ALDH1A1 (0.62) ALDH1A1CYP3A4
SCHEMBL7752393 0.67 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL22839395 0.67 ALDH1A1 (0.74) ALDH1A1CYP3A4
SCHEMBL19215771 0.67 ALDH1A1 (0.66) ALDH1A1CYP3A4
SCHEMBL7089674 0.67 ALDH1A1 (0.66) ALDH1A1CYP3A4

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-3203568-B1 ELECTROLYTE ADDITIVE FOR LITHIUM SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY COMPRISING THE ELECTROLYTE ADDITIVE LG CHEMICAL LTD (KR) 2018-05-09 EP disclosed