SCHEMBL28239046

SCHEMBL28239046

C=CCn1cc[n+](CC)c1.C=CCn1cc[n+](CC)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 2/20 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
SCHEMBL2689796 1.00 ALDH1A1 (0.33) ALDH1A1GAAMEN1HSP90AA1KMT2A
Iodide SCHEMBL15361288 0.98 ALDH1A1 (0.35) ALDH1A1GAAMEN1HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL15361551 0.98 ALDH1A1 (0.32) ALDH1A1GAAMEN1HSP90AA1KMT2A
Bromide SCHEMBL9997007 0.98 ALDH1A1 (0.35) ALDH1A1GAAMEN1HSP90AA1KMT2A
Water SCHEMBL15361629 0.98 ALDH1A1 (0.32) ALDH1A1GAAMEN1HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL16242696 0.94 ALDH1A1 (0.30) ALDH1A1GAA
SCHEMBL28400875 0.93
SCHEMBL9996552 0.93
Fluoride Ion SCHEMBL12076411 0.91 FDPS (0.31) FDPS
Fluoride SCHEMBL12076412 0.88 FDPS (0.32) ALDH1A1GAAMEN1HSP90AA1KMT2A

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
CN-108535892-A Graphene photonic crystal fiber liquid electrode electrooptic modulator 北京大学 2018-09-14 CN disclosed
CN-108363221-A Adjustable long wave flow-through optical filter based on graphene 北京大学 2018-08-03 CN disclosed