Dioxane

Dioxane

SCHEMBL5129205

C1COCCO1.CC#N.ClCCl

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTR P02766 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
Tetrahydrofuran SCHEMBL4406239 0.88 ALDH1A1 (0.44)
Dioxane SCHEMBL35969 0.87
Acetonitrile SCHEMBL11848905 0.87 TTR (0.50) TTR
Dioxane SCHEMBL2549097 0.87 TTR (0.50) TTR
Dioxane SCHEMBL15422680 0.83 TTR (0.55) TTR
Oxirane SCHEMBL6008970 0.83
Dioxane SCHEMBL23167502 0.79 TTR (0.60) TTR
Acetonitrile SCHEMBL156477 0.79
Acetonitrile SCHEMBL21768801 0.79
Acetonitrile SCHEMBL6263408 0.79 ALDH1A1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442798-B2 Quinone-indicator antibiotics, particularly2-heptyl-3-hydroxy-4-quinolone, and analogs; regulating the expression of a bacterial gene; modulating bacteria quorum sensing signaling THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2008-10-28 US disclosed
US-20050009869-A1 Novel autoinducer molecules and uses therefor NATIONAL SCIENCE FOUNDATION 2005-01-13 US disclosed
US-20020177715-A1 Novel autoinducer molecules and uses therefor UNIVERSITY OF IOWA 2002-11-28 US disclosed
WO-2002018342-A2 NOVEL AUTOINDUCER MOLECULES AND USES THEREFOR THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2002-03-07 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 (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-20020177715-A1 Novel autoinducer molecules and uses therefor QARS1, PGLS, SQLE TTR 4862/4885
US-20050009869-A1 Novel autoinducer molecules and uses therefor QARS1, PGLS, SQLE TTR 4854/4885

“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.