Dioxane

Dioxane

SCHEMBL1980951

C1COCCO1.ClC(Cl)(Cl)Cl

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 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
CYP2E1 P05181 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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 SCHEMBL28230378 0.84
Tetrahydrofuran SCHEMBL8896085 0.82 ALDH1A1 (0.67) TTRALDH1A1TSHRLMNACYP2E1
Oxirane SCHEMBL28403505 0.78
SCHEMBL3137753 0.78 TTR (1.00) TTRALDH1A1TSHRLMNAMEN1
SCHEMBL78595 0.78 TTR (1.00) TTRALDH1A1TSHRLMNAMEN1
Dioxane SCHEMBL9836999 0.78
SCHEMBL16041435 0.78 TTR (1.00) TTRALDH1A1TSHRLMNAMEN1
SCHEMBL1119 0.78 TTR (1.00) TTRALDH1A1TSHRLMNAMEN1
SCHEMBL3137720 0.78 TTR (1.00) TTRALDH1A1TSHRLMNAMEN1
Dioxane SCHEMBL9698192 0.78

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116218119-B Flame-retardant solid surface material and preparation method thereof 广东热浪新材料科技有限公司 2023-09-22 CN disclosed
CN-116218119-A Flame-retardant solid surface material and preparation method thereof 广东热浪新材料科技有限公司 2023-06-06 CN disclosed
CN-113912348-B High-performance recycled concrete and preparation method thereof 佛山市顺德区和乐商品混凝土有限公司 2023-01-06 CN disclosed
CN-113912348-A High-performance recycled concrete and preparation method thereof 佛山市顺德区和乐商品混凝土有限公司 2022-01-11 CN disclosed
US-10428019-B2 Chiral auxiliaries WAVE LIFE SCIENCES LTD. (SG) 2019-10-01 US disclosed
CN-102489276-B Benzyl nitrogen bridged calix[2]arene[2]triazine bonded silica stationary phase, its preparation method and its purpose UNIV ZHENGZHOU 2013-08-21 CN disclosed
US-20130178612-A1 CHIRAL AUXILIARIES CHIRALGEN, LTD. (JP) 2013-07-11 US disclosed
CN-102489275-B Phenylalanine-substituted calix [4] arene bonded silica gel stationary phase, preparation method thereof, and application thereof UNIV ZHENGZHOU 2013-07-10 CN disclosed
EP-2512245-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
CN-102489275-A Phenylalanine-substituted calix [4] arene bonded silica gel stationary phase, preparation method thereof, and application thereof UNIV ZHENGZHOU 2012-06-13 CN disclosed
WO-2011075371-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
US-6835745-B2 Treating or inhibiting osteoporosis or bone demineralization, inflammatory bowel disease, prostatic hypertrophy, uterine leiomyomas, breast cancer, endometriosis, endometrial cardiovascular disease, Alzheimer's disease WYETH 2004-12-28 US disclosed
US-20030199570-A1 Phenyl substituted thiophenes as estrogenic agents WYETH 2003-10-23 US disclosed
EP-0579169-B1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1998-09-02 EP disclosed
US-5563253-A NON-RADIOACTIVE LABELLING WORCESTER FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1996-10-08 US disclosed
US-5541306-A LABELS WORCESTER FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1996-07-30 US disclosed
US-5536821-A Aminoalkylphosphorothioamidate oligonucleotide deratives WORCESTER FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1996-07-16 US disclosed
US-5321131-A Diagnosis, therapy HYBRIDON, INC. (US) 1994-06-14 US disclosed
EP-0579169-A1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1994-01-19 EP disclosed
WO-1991013902-A2 SITE-SPECIFIC FUNCTIONALIZATION OF OLIGODEOXYNUCLEOTIDES FOR NON-RADIOACTIVE LABELLING WORCESTER FOUNDATION FOR EXPERIMENTAL BIOLOGY (US) 1991-09-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130178612-A1 CHIRAL AUXILIARIES POLL, PCNA, POLM TTR 684/4885ALDH1A1 3045/4885TSHR 2617/4885
US-10428019-B2 Chiral auxiliaries PCNA, POLL, TYMP TTR 1146/4885ALDH1A1 2263/4885TSHR 2863/4885
US-20030199570-A1 Phenyl substituted thiophenes as estrogenic agents ESR2, ESR1, GPER1 TTR 3375/4885ALDH1A1 1071/4885TSHR 39/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.