SCHEMBL9905351

SCHEMBL9905351

C=CCn1cc[n+](CCO)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL22313673 0.88 ALDH1A1 (0.31) ALDH1A1GAA
SCHEMBL4366092 0.83
SCHEMBL3304995 0.81 MEN1 (0.33) ALDH1A1GAA
Iodide SCHEMBL4363778 0.80 ALDH1A1 (0.33) ALDH1A1GAA
Hydrochloric Acid SCHEMBL4367845 0.80 MEN1 (0.33) ALDH1A1GAA
SCHEMBL3224988 0.79
SCHEMBL1931517 0.79 MEN1 (0.38)
SCHEMBL87311 0.79 ALDH1A1 (0.30) ALDH1A1GAA
SCHEMBL3817930 0.78 MEN1 (0.31)
Bromide SCHEMBL3791302 0.77 MEN1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157579-A1 Azolium Ionomer Derivatives of Halogenated Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 US claimed
WO-2012075574-A1 AZOLIUM IONOMER DERIVATIVES OF HALOGENATED POLYMERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-14 WO claimed
US-20120157579-A1 Azolium Ionomer Derivatives of Halogenated Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 US disclosed
WO-2012075574-A1 AZOLIUM IONOMER DERIVATIVES OF HALOGENATED POLYMERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-14 WO disclosed