Dioxane

Dioxane

SCHEMBL1921978

C1COCCO1.COC(C)(C)C

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
TTR P02766 1/20 0.43
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
Tetrahydrofuran SCHEMBL360933 0.87 ALDH1A1 (0.50) ALDH1A1USP2SMN1; SMN2
Tetrahydrofuran SCHEMBL28159237 0.84 ALDH1A1 (0.47) ALDH1A1USP2SMN1; SMN2
SCHEMBL1921973 0.84 ALDH1A1 (0.47) ALDH1A1USP2SMN1; SMN2
Morpholine SCHEMBL8176978 0.80 MEN1 (0.55) ALDH1A1MEN1KMT2A
Dioxane SCHEMBL8962544 0.76
Fluoride SCHEMBL15135042 0.76 ALDH1A1 (0.80) ALDH1A1
Fluoride SCHEMBL2684369 0.76 ALDH1A1 (0.80) ALDH1A1
SCHEMBL6223 0.76
SCHEMBL503396 0.76
SCHEMBL8679785 0.76 ALDH1A1 (1.00) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385918-A Novel midazolam crystal form and preparation method thereof 成都硕德药业有限公司 2022-11-25 CN claimed
EP-2648726-B1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2018-04-04 EP claimed
CN-103596566-B Polycyclic LPA1Antagonists and uses thereof 阿米拉制药公司 2017-08-25 CN claimed
US-9556133-B2 Polycyclic LPA1 antagonist and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US claimed
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-09-26 US claimed
WO-2004083180-A1 NOVEL CRYSTALLINE FORMS OF LEVETIRACETAM HETERO DRUGS LIMITED (IN) 2004-09-30 WO claimed
CN-117916233-A Amorphous, crystalline, pharmaceutical compositions, methods of preparation and uses of thiohydantoin compounds or pharmaceutically acceptable salts thereof 苏州开拓药业股份有限公司 2024-04-19 CN disclosed
WO-2024017266-A1 POLYMORPHIC FORM OF GLP-1R AGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF 德睿智药(苏州)新药研发有限公司 2024-01-25 WO disclosed
CN-117088902-A Preparation method of boron carrying agent by one-pot method 苏州博锐创合医药有限公司 2023-11-21 CN disclosed
CN-115385918-A Novel midazolam crystal form and preparation method thereof 成都硕德药业有限公司 2022-11-25 CN disclosed
US-10562927-B2 Bismuth perfluoroalkylphosphinates as lewis acid catalysts MERCK PATENT GMBH (DE) 2020-02-18 US disclosed
US-10328423-B2 Perfluoroalkyl group-containing bismuth compounds as lewis acid catalysts MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-20180290964-A1 CRYSTALLINE SOLID FORMS OF THE ACETATE SALT OF (1S,3S,4R)-4-((3AS,4R,5S,7AS)-4-(AMINOMETHYL)-7A-METHYL-1-METHYLENEOCTAHYDRO-1H-INDEN-5-YL)-3-(HYDROXYMETHYL)-4-METHYLCYCLOHEXANOL AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-10-11 US disclosed
WO-2010027448-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTIMIS PHARMACEUTICALS INC. (US) 2010-03-11 WO disclosed
US-7271296-B2 Method for the production of phytofluene BASF AKTIENGESELLSCHAFT (DE) 2007-09-18 US disclosed
US-20070004925-A1 Method for the production of phytofluene BASF AKTIENGESELLSCHAFT (DE) 2007-01-04 US disclosed
US-20050143445-A1 Novel crystalline forms of levetiracetam HETERO DRUGS LIMITED (IN) 2005-06-30 US disclosed
WO-2004083180-A1 NOVEL CRYSTALLINE FORMS OF LEVETIRACETAM HETERO DRUGS LIMITED (IN) 2004-09-30 WO disclosed
EP-1051402-A1 METHOD FOR PRODUCING S-ALKYL(ARYL)-SUBSTITUTED IMIDAZOL DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2000-11-15 EP disclosed
WO-1999037620-A1 METHOD FOR PRODUCING S-ALKYL(ARYL)-SUBSTITUTED IMIDAZOL DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-29 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 (6 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-10562927-B2 Bismuth perfluoroalkylphosphinates as lewis acid catalysts FXR2, PRXL2A, AFF2 ALDH1A1 827/4885TTR 1596/4885USP2 223/4885
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 ALDH1A1 1515/4885TTR 3675/4885USP2 3784/4885
US-20180290964-A1 CRYSTALLINE SOLID FORMS OF THE ACETATE SALT OF (1S,3S,4R)-4-((3AS,4R,5S,7AS)-4-(AMINOMETHYL)-7A-METHYL-1-METHYLENEOCTAHYDRO-1H-INDEN-5-YL)-3-(HYDROXYMETHYL)-4-METHYLCYCLOHEXANOL HSD3B1, CYP4A11, CYP2S1 ALDH1A1 263/4885TTR 761/4885USP2 3932/4885
US-20050143445-A1 Novel crystalline forms of levetiracetam EPM2A, MAPT, ATG4A ALDH1A1 2664/4885TTR 6/4885USP2 1806/4885
US-10328423-B2 Perfluoroalkyl group-containing bismuth compounds as lewis acid catalysts AFF4, PFAS, FAH ALDH1A1 2148/4885TTR 1401/4885USP2 192/4885
US-20070004925-A1 Method for the production of phytofluene AKR1C4, F12, F5 ALDH1A1 458/4885TTR 2758/4885USP2 3223/4885

“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.