SCHEMBL27979679

SCHEMBL27979679

C[N+](C)(C)CC#N.ClP(Cl)Cl

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL305550 0.87
Hydrochloric Acid SCHEMBL3948145 0.84
Bromide SCHEMBL18762448 0.84
Iodide SCHEMBL22034509 0.84
Phosphine SCHEMBL27780916 0.81
Phosphine SCHEMBL27979681 0.81
Iodide SCHEMBL31302818 0.79 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL27707216 0.79 ALDH1A1 (0.32) ALDH1A1
Sulfuric Acid SCHEMBL7127658 0.72 NLRP3 (0.33)
Phosphoric Acid SCHEMBL25316929 0.70 BBOX1 (0.30)

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
CN-104039956-A Method of treatment GLAXOSMITHKLINE IP NO 2 LTD 2014-09-10 CN disclosed