Dioxane

Dioxane

SCHEMBL16737293

C1COCCO1.CC(C)O.CCCCCC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.37
OPRM1 P35372 1/20 0.36

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
Hexane SCHEMBL3228334 0.90 ALDH1A1 (0.40) SPHK1LMNATSHR
Hexane SCHEMBL28084958 0.85 TSHR (0.54) SPHK1LMNATSHRSMN1; SMN2THRB
Dioxane SCHEMBL1463561 0.85 TSHR (0.54) LMNATSHRSMN1; SMN2POLBHTT
Dioxane SCHEMBL28273076 0.82 SMN1; SMN2 (0.47) LMNATSHRSMN1; SMN2POLBHTT
Dioxane SCHEMBL28202500 0.82 GPR84 (0.40) SPHK1LMNAPOLBHTT
Dioxane SCHEMBL29286326 0.82 TSHR (0.57) LMNATSHRTHRB
Nonane SCHEMBL27725295 0.82 TSHR (0.57) LMNATSHRTHRB
Heptane SCHEMBL1803195 0.82 TSHR (0.57) LMNATSHRTHRB
Decane SCHEMBL4618626 0.82 TSHR (0.57) LMNATSHRTHRB
Tetradecane SCHEMBL28284620 0.82 TSHR (0.57) LMNATSHRTHRB

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
US-20180296594-A1 SOLID ORAL DOSAGE FORM FOR BREAST SYMPTOMS BioPharmX, Inc. 2018-10-18 US disclosed
US-10034899-B2 Solid oral dosage form for breast symptoms BioPharmX, Inc. (US) 2018-07-31 US disclosed
WO-2015080984-A1 SOLID ORAL DOSAGE FORM FOR BREAST SYMPTOMS BioPharmX, Inc. (US) 2015-06-04 WO disclosed
US-20150147400-A1 SOLID ORAL DOSAGE FORM FOR BREAST SYMPTOMS BioPharmX, Inc (US) 2015-05-28 US disclosed