SCHEMBL4868038

SCHEMBL4868038

O=C(C1OCOCO1)C1OCOCO1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL2703302 0.78
SCHEMBL23648172 0.71
SCHEMBL23780299 0.71
SCHEMBL4267205 0.65
SCHEMBL4868123 0.64 TSHR (0.36) TSHR
SCHEMBL456363 0.62 TSHR (0.42) TSHR
SCHEMBL19550942 0.59
SCHEMBL1029023 0.59
SCHEMBL52052 0.58
SCHEMBL1559461 0.58

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
WO-2006016903-A2 1, 2,4-TRIOXANES AND 1, 2, 4-TRIOXEPANES ROMARK LABORATORIES, L.C. (US) 2006-02-16 WO claimed
US-20050256184-A1 1,2,4-Trioxanes and 1,2,4-trioxepanes O'NEILL PAUL M 2005-11-17 US claimed
CN-101400708-B Process for purifying resorbable polymers from residual monomers PURAC BIOCHEM B.V. (NL) 2012-02-01 CN disclosed
CN-101400708-A Process for purifying resorbable polymers from residual monomers PURAC BIOCHEM BV (NL) 2009-04-01 CN disclosed
US-7417156-B2 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers JOHNS HOPKINS UNIVERSITY (US) 2008-08-26 US disclosed
US-20060142377-A1 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers with high selectively, stability and efficacy and methods of making the same JOHNS HOPKINS UNIVERSITY-LICENSE & TECHNOLOGY DEVE (US) 2006-06-29 US disclosed
WO-2006016903-A2 1, 2,4-TRIOXANES AND 1, 2, 4-TRIOXEPANES ROMARK LABORATORIES, L.C. (US) 2006-02-16 WO disclosed
US-20050256184-A1 1,2,4-Trioxanes and 1,2,4-trioxepanes O'NEILL PAUL M 2005-11-17 US disclosed
WO-2004028476-A2 ARTEMISININ-DERIVED TRIOXANE DIMERS JOHNS HOPKINS UNIVERSITY (US) 2004-04-08 WO disclosed
CN-1117629-C Carbonylation catalyst system DSM NV (NL) 2003-08-13 CN disclosed
US-6586464-B2 Artemisinin analogs having antimalarial, antiproliferative, and antitumor activities and chemoselective methods of making the same JOHNS HOPKINS UNIVERSITY 2003-07-01 US disclosed
EP-1150984-A1 ARTEMISININ ANALOGS HAVING ANTIMALARIAL, ANTIPROLIFERATIVE, AND ANTITUMOR ACTIVITIES AND CHEMOSELECTIVE METHODS OF MAKING THE SAME Hauser, Inc. (US) 2001-11-07 EP disclosed
US-6297272-B1 Artemisinin analogs having antimalarial antiproliferative and antitumor activities and chemoselective methods of making the same HAUSER, INC. 2001-10-02 US disclosed
WO-2000042046-A9 ARTEMISININ ANALOGS HAVING ANTIMALARIAL, ANTIPROLIFERATIVE, AND ANTITUMOR ACTIVITIES AND CHEMOSELECTIVE METHODS OF MAKING THE SAME HAUSER INC (US) 2001-09-20 WO disclosed
CN-1070169-C Process for carbonylation of butadiene or butadiene derivative DSM NV (NL) 2001-08-29 CN disclosed
CN-1297433-A Processes for producing epsilon-caprolactams UNION CARBIDE CHEM PLASTIC (US) 2001-05-30 CN disclosed
WO-2000042046-A1 ARTEMISININ ANALOGS HAVING ANTIMALARIAL, ANTIPROLIFERATIVE, AND ANTITUMOR ACTIVITIES AND CHEMOSELECTIVE METHODS OF MAKING THE SAME HAUSER, INC. (US) 2000-07-20 WO disclosed
CN-1252015-A Carbonylation catalyst system DSM NV (NL) 2000-05-03 CN disclosed
CN-1138021-A Process for carbonylation of butadiene or butadiene derivative DSM NV (NL) 1996-12-18 CN disclosed
CN-1044475-A Epoxy-aromatic polysiloxane composition M & T CHEMICALS INC (US) 1990-08-08 CN 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-20050256184-A1 1,2,4-Trioxanes and 1,2,4-trioxepanes TALDO1, THPO, ALOX12 TSHR 1949/4885
US-20060142377-A1 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers with high selectively, stability and efficacy and methods of making the same HCCS, ACIN1, ADH1A TSHR 3361/4885

“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.