Dioxane

Dioxane

SCHEMBL28100689

C1COCCO1.CN(C)C

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.60
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.33
PIK3CD O00329 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
Trimethylammonium SCHEMBL23270971 0.95
Dioxane SCHEMBL28234647 0.91 TTR (0.50) TTRALDH1A1MEN1KMT2A
Trimethylammonium SCHEMBL28325324 0.90
Trimethylammonium SCHEMBL25423136 0.90
Trimethylammonium SCHEMBL27858289 0.90
Tetrahydrofuran SCHEMBL20549067 0.82
Trimethylammonium SCHEMBL972661 0.80 TSHR (0.60) TTRALDH1A1TSHR
Trimethylammonium SCHEMBL372436 0.79 ALDH1A1 (0.61) TTRALDH1A1TSHR
Dioxane SCHEMBL6407595 0.78
SCHEMBL1119 0.78 TTR (1.00) TTRALDH1A1MEN1KMT2ATSHR

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-103385036-B Method for producing organic electroluminescent element 住友化学株式会社 2017-02-08 CN disclosed
CN-103460428-B The preparation method of electronic equipment, macromolecular compound, organic compound and macromolecular compound 住友化学株式会社 2016-09-07 CN disclosed