Dioxane

Dioxane

SCHEMBL28816032

C1COCCO1.CCOC(N)=O

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.71
TSHR P16473 2/20 0.55
ALDH1A1 P00352 5/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 5/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39

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 SCHEMBL29117360 0.98 ALOX15 (0.68) ALOX15TSHRALDH1A1RECQLRAB9A
Urethane SCHEMBL17164841 0.98 ALOX15 (0.75) ALOX15TSHRALDH1A1RECQLRAB9A
Urethane SCHEMBL41478 0.98
Urethane SCHEMBL10414976 0.95 ALOX15 (0.71) ALOX15TSHRALDH1A1RECQLRAB9A
Urethane SCHEMBL7059731 0.91 ALOX15 (0.65) ALOX15TSHRALDH1A1RECQLRAB9A
Urethane SCHEMBL541145 0.91 ALOX15 (0.71) ALOX15TSHRALDH1A1RECQLRAB9A
Urethane SCHEMBL6290773 0.87
Urethane SCHEMBL6290769 0.87 ALOX15 (0.94) ALOX15TSHRALDH1A1LMNAMAPT
Urethane SCHEMBL250833 0.87
Urethane SCHEMBL1359705 0.87 ALOX15 (0.94) ALOX15TSHRALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111647347-B Low free TDI single-component polyurethane waterproof coating and preparation method thereof 安徽三棵树涂料有限公司 2023-10-31 CN claimed
CN-111548722-B Domestic drinking water contact-level polyurethane waterproof coating and preparation method thereof 安徽三棵树涂料有限公司 2023-10-31 CN claimed
CN-111647347-B Low free TDI single-component polyurethane waterproof coating and preparation method thereof 安徽三棵树涂料有限公司 2023-10-31 CN disclosed
CN-111548722-B Domestic drinking water contact-level polyurethane waterproof coating and preparation method thereof 安徽三棵树涂料有限公司 2023-10-31 CN disclosed
CN-104387553-A Biodegradable unsaturated polyurethane material and preparation method thereof UNIV ZHEJIANG 2015-03-04 CN disclosed