Dioxane

Dioxane

SCHEMBL28118854

C1COCCO1.CCC(O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
TSHR P16473 4/20 0.39
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 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
Oxirane SCHEMBL27471704 0.97
Tetrahydrofuran SCHEMBL28522855 0.88 ALDH1A1 (0.47) TSHRUSP2
Dioxane SCHEMBL4767152 0.84 TSHR (0.62) TTRTSHRUSP2SMN1; SMN2
Dioxane SCHEMBL1477531 0.81 TSHR (0.59) TTRTSHRUSP2SMN1; SMN2
SCHEMBL2335211 0.78 TSHR (0.58) TSHR
SCHEMBL14994799 0.78 TSHR (0.58) TSHR
Oxirane SCHEMBL29141182 0.78
SCHEMBL16959 0.78
SCHEMBL28118855 0.75 TSHR (0.35) TSHR
Dioxane SCHEMBL28848923 0.75 USP2 (0.34) TTRTSHRUSP2HTT

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-106414598-A Firing paste composition and use thereof 综研化学株式会社 2017-02-15 CN disclosed