Dioxane

Dioxane

SCHEMBL9508711

C1COCCO1.CC(=O)OC(C)=O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ TSHR P16473 2/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ HSD17B10 Q99714 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.38
▸ TTR P02766 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ POLB P06746 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 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
Oxirane SCHEMBL8581231 0.97 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL1705171 0.88 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2HSD17B10TDP1
Tetrahydrofuran SCHEMBL4337006 0.88 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2HSD17B10TDP1
Tetrahydrofuran SCHEMBL1938419 0.88 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2HSD17B10TDP1
Fluoride SCHEMBL27342145 0.83 — —
Morpholine SCHEMBL28126679 0.82 MEN1 (0.50) ALDH1A1TSHRSMN1; SMN2HSD17B10TDP1
Dioxane SCHEMBL11028398 0.81 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2HSD17B10KDM4E
Acetone SCHEMBL14359414 0.79 SMN1; SMN2 (0.55) TSHRSMN1; SMN2HSD17B10KDM4ETTR
Dioxane SCHEMBL1512800 0.79 SMN1; SMN2 (0.55) TSHRSMN1; SMN2HSD17B10KDM4ETTR
Acetone SCHEMBL5243854 0.79 SMN1; SMN2 (0.55) TSHRSMN1; SMN2HSD17B10KDM4ETTR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104694522-A Preparation method and application of recombinant acetylation cationoid trypsin INST RADIATION MED AMMS PLA 2015-06-10 — — CN disclosed
CN-101687871-A Spiro condensed barbituric acid derivatives for use as antibacterial ASTRAZENECA UK LTD 2010-03-31 — — CN disclosed
EP-0379515-B1 LOW PRESSURE RHODIUM CATALYZED HYDROFORMYLATION OF OLEFINS EASTMAN KODAK CO (US) 1993-10-20 — — EP disclosed
EP-0379515-A1 LOW PRESSURE RHODIUM CATALYZED HYDROFORMYLATION OF OLEFINS. EASTMAN KODAK CO (US) 1990-08-01 — — EP disclosed
US-4873213-A TRIBENZYLPHOSPHINE COMPLEXES; SELECTIVITY EASTMAN CHEMICAL COMPANY 1989-10-10 — — US disclosed
US-4871878-A HIGH SELECTIVITY TO ALDEHYDES USING AROMATIC PHOSPHINE IN CATALYST EASTMAN KODAK COMPANY (US) 1989-10-03 — — US disclosed
WO-1989001467-A1 LOW PRESSURE RHODIUM CATALYZED HYDROFORMYLATION OF OLEFINS EASTMAN KODAK COMPANY (US) 1989-02-23 — — WO disclosed
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