Dioxane

Dioxane

SCHEMBL3104036

C1COCCO1.COCCOCCOC

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
TTR P02766 1/20 0.35
TDP1 Q9NUW8 1/20 0.32

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 SCHEMBL10324821 1.00 CA2 (0.35) CA2TTRTDP1
Dioxane SCHEMBL8149387 1.00 CA2 (0.35) CA2TTRTDP1
Dioxane SCHEMBL2949971 0.91 TTR (0.43) TTRTDP1
SCHEMBL4625372 0.91 TTR (0.43) TTRTDP1
Tetrahydrofuran SCHEMBL28609324 0.89 ALDH1A1 (0.42) CA2TDP1
SCHEMBL28902249 0.89 CA2 (0.33) CA2
Tetrahydrofuran SCHEMBL2336993 0.89 ALDH1A1 (0.42) CA2TDP1
Tetrahydrofuran SCHEMBL310535 0.89 ALDH1A1 (0.42) CA2TDP1
SCHEMBL8859291 0.87 ALDH1A1 (0.40) CA2TDP1
SCHEMBL11713823 0.87 ALDH1A1 (0.40) CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599462-B1 Process of preparing imatinib CIPLA LTD (IN) 2013-03-27 EP claimed
US-7638627-B2 Imatinib hydrochloride; reacting N-(2-methyl-5-aminophenyl-4-(3-pyridyl)-2-pyrimidineamine with 4-(4-methyl-piperazinomethyl)benzoyl chloride; improved reduction step to simplify, increase yield, improve purity CIPLA LIMITED (IN) 2009-12-29 US claimed
EP-1905761-A1 An improved process for the preparation of 4-[2-(methyl-2-pyridinylamino) ethoxy] benzaldehyde, an intermediate for the preparation of rosiglitazone Cadila Pharmaceuticals Limited (IN) 2008-04-02 EP claimed
US-20060173182-A1 Process of preparing imatinib and imatinib prepared thereby CIPLA LIMITED (IN) 2006-08-03 US claimed
EP-1599462-A2 PROCESS OF PREPARING IMATINIB Cipla Ltd. (IN) 2005-11-30 EP claimed
WO-2004074502-A2 A PROCESS OF PREPARING IMATINIB CIPLA LTD (IN) 2004-09-02 WO claimed
EP-1599462-B1 Process of preparing imatinib CIPLA LTD (IN) 2013-03-27 EP disclosed
US-20100179323-A1 PROCESS FOR MAKING DIPHOSPINE-RUTHENIUM-DIAMINE COMPLEXES DR. REDDY'S LABORATORIES LIMITED (IN) 2010-07-15 US disclosed
EP-1902061-B1 PROCESS FOR MAKING DIPHOSPHINE-RUTHENIUM-DIAMINE COMPLEXES REDDY S LAB EU LTD DR (GB) 2009-12-30 EP disclosed
US-7638627-B2 Imatinib hydrochloride; reacting N-(2-methyl-5-aminophenyl-4-(3-pyridyl)-2-pyrimidineamine with 4-(4-methyl-piperazinomethyl)benzoyl chloride; improved reduction step to simplify, increase yield, improve purity CIPLA LIMITED (IN) 2009-12-29 US disclosed
EP-1905761-A1 An improved process for the preparation of 4-[2-(methyl-2-pyridinylamino) ethoxy] benzaldehyde, an intermediate for the preparation of rosiglitazone Cadila Pharmaceuticals Limited (IN) 2008-04-02 EP disclosed
EP-1902061-A1 PROCESS FOR MAKING DIPHOSPHINE-RUTHENIUM-DIAMINE COMPLEXES Dow Gloval Technologies Inc. (US) 2008-03-26 EP disclosed
WO-2007005550-A1 PROCESS FOR MAKING DIPHOSPHINE-RUTHENIUM-DIAMINE COMPLEXES DOW GLOBAL TECHNOLOGIES INC. (US) 2007-01-11 WO disclosed
US-20060173182-A1 Process of preparing imatinib and imatinib prepared thereby CIPLA LIMITED (IN) 2006-08-03 US disclosed
EP-1599462-A2 PROCESS OF PREPARING IMATINIB Cipla Ltd. (IN) 2005-11-30 EP disclosed
WO-2004074502-A2 A PROCESS OF PREPARING IMATINIB CIPLA LTD (IN) 2004-09-02 WO disclosed
EP-0559363-A1 3-Phenyl-5-pyridyl triazoles and their use as insecticides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-09-08 EP disclosed
US-4028278-A Cycloaliphatic unsaturated ketones as fragrance modifying agents FIRMENICH S.A. (CH) 1977-06-07 US 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 (2 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-20060173182-A1 Process of preparing imatinib and imatinib prepared thereby ABL1, ABL2, MET CA2 903/4885TTR 1182/4885TDP1 3626/4885
US-20100179323-A1 PROCESS FOR MAKING DIPHOSPINE-RUTHENIUM-DIAMINE COMPLEXES DPY30, POP1, PPIP5K2 CA2 3954/4885TTR 1967/4885TDP1 2730/4885

“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.