SCHEMBL12475313

SCHEMBL12475313

CC[N+]1(CC)CCCNCCNCCCNCC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Iodide SCHEMBL11554005 0.83 CHRNA10 (0.33)
SCHEMBL575435 0.71
SCHEMBL9864651 0.71
SCHEMBL17550748 0.71 CHRNA7 (0.36)
SCHEMBL3960924 0.70
SCHEMBL3474158 0.69 CXCR4 (0.47) CXCR4SMN1; SMN2
SCHEMBL575098 0.68 CHRNA7 (0.34) SMN1; SMN2
Water SCHEMBL16297127 0.68 CHRNA7 (0.34)
Iodide SCHEMBL8991344 0.68 CHRNA7 (0.34)
Butane SCHEMBL22619597 0.68 CXCR4 (0.64) CXCR4SMN1; SMN2

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
EP-2673349-A1 USE OF TRANSITION METAL COMPLEXES AS BLEACH CATALYSTS IN WASHING AND CLEANING COMPOSITIONS Clariant International Ltd. (CH) 2013-12-18 EP disclosed
WO-2012107187-A1 USE OF TRANSITION METAL COMPLEXES AS BLEACH CATALYSTS IN WASHING AND CLEANING COMPOSITIONS CLARIANT INTERNATIONAL LTD (CH) 2012-08-16 WO disclosed