Dioxane

Dioxane

SCHEMBL27608979

C1COCCO1.C[N+](=O)[O-]

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KCNJ1 P48048 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 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
Dioxane SCHEMBL11688881 0.91 TTR (0.35) TTRMAPT
Tetrahydrofuran SCHEMBL11230825 0.87
Nitromethane SCHEMBL4964841 0.86
Tetrahydrofuran SCHEMBL11688867 0.84 ALDH1A1 (0.47) ALDH1A1
Nitromethane SCHEMBL11688663 0.84 ALDH1A1 (0.47) ALDH1A1
Dioxane SCHEMBL11688679 0.82
Dioxane SCHEMBL5805799 0.79 CA5A (0.57) TTRMAPTSMN1; SMN2ALDH1A1LMNA
Dioxane SCHEMBL5799234 0.78 TSHR (0.65) TTRMAPTSMN1; SMN2ALDH1A1LMNA
Nitromethane SCHEMBL29707679 0.76
Nitromethane SCHEMBL525 0.76

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-1678282-A Compositions of anionic polymeric rheology modifiers and cationic materials NOVEON IP HOLDINGS CORP (US) 2005-10-05 CN disclosed