SCHEMBL5085522

SCHEMBL5085522

CCCC[n+]1ccn(CC)c1.O=[Al]Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FDPS P14324 5/20 0.39

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
SCHEMBL372519 0.89 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL961160 0.88 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Bromide SCHEMBL5168946 0.88 MEN1 (0.45) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Iodide SCHEMBL1758290 0.88 SMN1; SMN2 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Fluoride Ion SCHEMBL5172541 0.88 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL17699216 0.86 MEN1 (0.39) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL7516471 0.86 MEN1 (0.39) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL899200 0.84 ABCB11 (0.45) MEN1HSP90AA1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL5169476 0.83 FDPS (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL28333445 0.83 MEN1 (0.39) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS

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
EP-1900762-A1 Process for the preparation of hydrocarbon resins Rütgers Chemicals GmbH (DE) 2008-03-19 EP claimed
EP-1900763-A1 process to prepare a hydrocarbon resin Rütgers Chemicals GmbH (DE) 2008-03-19 EP claimed
EP-1900763-A1 process to prepare a hydrocarbon resin Rütgers Chemicals GmbH (DE) 2008-03-19 EP disclosed
EP-1900762-A1 Process for the preparation of hydrocarbon resins Rütgers Chemicals GmbH (DE) 2008-03-19 EP disclosed