SCHEMBL5414192

SCHEMBL5414192

N#CCC[N+](CCO)CCO

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.31
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL742932 0.74 ALDH1A1 (0.41) ALDH1A1TDP1TSHR
Water SCHEMBL2192190 0.68
SCHEMBL25008 0.68
SCHEMBL30498455 0.68
Ammonia Solution, Strong SCHEMBL28029274 0.65
Ethylene Glycol SCHEMBL27678608 0.65
SCHEMBL27982493 0.65
SCHEMBL29172255 0.65
SCHEMBL28283743 0.65
SCHEMBL7754842 0.63 ALDH1A1 (0.46) ALDH1A1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7261995-B2 Nitrogen-containing organic compound, chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20050238993-A1 Nitrogen-containing organic compound, chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2005-10-27 US disclosed