Dioxane

Dioxane

SCHEMBL4418046

C1COCCO1.C=CC.C=CC.CCOCC.OCCO

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
Dioxane SCHEMBL3113374 0.89 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHTTPOLB
Ether SCHEMBL1988246 0.86 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EHTTPOLB
Ether SCHEMBL250891 0.86 ALDH1A1 (0.48) ALDH1A1TSHR
Ether SCHEMBL1070562 0.86 ALDH1A1 (0.48) ALDH1A1TSHR
Ether SCHEMBL43391 0.86 ALDH1A1 (0.48) ALDH1A1TSHR
Ether SCHEMBL8958539 0.86 ALDH1A1 (0.48) ALDH1A1TSHR
Ether SCHEMBL2112315 0.86 ALDH1A1 (0.48) ALDH1A1TSHR
Ether SCHEMBL7175156 0.84 ALDH1A1 (0.46) ALDH1A1TSHR
Ether SCHEMBL9184166 0.84 ALDH1A1 (0.46) ALDH1A1TSHR
Ether SCHEMBL9445610 0.81 ALDH1A1 (0.43) ALDH1A1TSHRHTT

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
EP-1392779-B1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA HOLDING INC (CH) 2009-04-22 EP disclosed
US-20040067311-A1 Fluorinated-photoinitiators in dual cure resins CIBA SPECIALTY CHEMICALS CORP. 2004-04-08 US disclosed
EP-1392779-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS Ciba SC Holding AG (CH) 2004-03-03 EP disclosed
WO-2002040602-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-05-23 WO disclosed