SCHEMBL8019334

SCHEMBL8019334

C=CC[N+](C)(CC=CO)CC=CO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.31
BBOX1 O75936 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
SCHEMBL5447792 1.00 ACHE (0.31) ACHEBBOX1
Hydrochloric Acid SCHEMBL7045853 0.81 ACHE (0.30) ACHEBBOX1
SCHEMBL361078 0.81 ACHE (0.34) ACHEBBOX1
SCHEMBL27433051 0.80 BBOX1 (0.39) ACHEBBOX1
Ammonia Solution, Strong SCHEMBL6558011 0.78 ACHE (0.33) ACHEBBOX1
Bromide SCHEMBL4276591 0.78 ACHE (0.37) ACHEBBOX1
Iodide SCHEMBL28293289 0.78 ACHE (0.33) ACHEBBOX1
Water SCHEMBL5407242 0.78 ACHE (0.33) ACHEBBOX1
Fluoride Ion SCHEMBL6689085 0.78 ACHE (0.33) ACHEBBOX1
Hydrochloric Acid SCHEMBL142822 0.78 ACHE (0.33) ACHEBBOX1

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
WO-2000042153-A1 DETERGENT COMPOSITIONS COMPRISING A PECTATE LYASE AND A CATIONIC SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 2000-07-20 WO claimed