SCHEMBL436746

SCHEMBL436746

CC(=O)OC(C)=O.CC(C)C(C)(N)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.34
CYP2C19 P33261 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
Acetic Acid SCHEMBL1033678 0.81 FFAR3 (0.41) ALDH1A1TSHR
Ethyl Acetate SCHEMBL3986904 0.78 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10GAA
Oxalic Acid SCHEMBL27763558 0.76 CYP1A2 (0.37) ALDH1A1TSHR
Sulfuric Acid SCHEMBL28150852 0.76 CA5A (0.35) TSHRCYP2C19
Sulfuric Acid SCHEMBL16910003 0.76 CA5A (0.35) TSHRCYP2C19
Bicarbonate SCHEMBL28262249 0.76 CYP1A2 (0.37) ALDH1A1TSHR
Methyl Alcohol SCHEMBL27508368 0.74 ALDH1A1 (0.35) ALDH1A1CYP2C19
SCHEMBL1980 0.74
Pivalate SCHEMBL1831112 0.74 CYP2D6 (0.40) ALDH1A1TSHRCYP2C19
Ammonia Solution, Strong SCHEMBL4950713 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4171628-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF COVID-19 AND RELATED PATHOLOGIES Unthreadt B.V. (NL) 2023-05-03 EP disclosed
WO-2021261993-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF COVID-19 AND RELATED PATHOLOGIES UNTHREADT B.V. (NL) 2021-12-30 WO disclosed
CN-101443080-B Use of peptides for controlling radiation damage BIOTEMPT BV 2015-01-14 CN disclosed
US-8680059-B2 Oligopeptide acetate and formulations thereof BIOTEMPT B.V. (NL) 2014-03-25 US disclosed
EP-1996292-B1 USE OF PEPTIDES FOR THE CONTROL OF RADIATION INJURY BIOTEMPT BV (NL) 2012-10-31 EP disclosed
US-8288341-B2 Control of radiation injury BIOTEMPT B.V. (NL) 2012-10-16 US disclosed
US-8216998-B2 Use of human chorionic gonadotropin (hCG)-derived peptides; reperfusion injuries; NF-kappa B-down-regulating peptide BIOTEMPT B.V. (NL) 2012-07-10 US disclosed
WO-2012024668-A3 DOSAGE DISPENSING CAP SYSTEM AMIN JOSEPH (US) 2012-05-10 WO disclosed
US-RE43309-E1 Immunoregulatory compositions BIOTEMPT B.V. (NL) 2012-04-10 US disclosed
EP-1615655-B1 USE OF COMPOSITIONS FOR MUCOSAL AND ORAL ADMINISTRATION COMPRISING HCG FRAGMENTS BIOTEMPT BV (NL) 2012-02-22 EP disclosed
US-20030113733-A1 Transcription factors; nuclear localization peptides; human chorionic gonadotropic hormone(hCG); NF-kappaB/Rel proteins BIOTEMPT B.V. (NL) 2003-06-19 US disclosed
WO-2003029292-A2 GENE REGULATORY PEPTIDES ERASMUS UNIVERSITEIT ROTTERDAM (NL) 2003-04-10 WO disclosed
EP-1300418-A1 Gene regulation by oligopeptides Erasmus Universiteit Rotterdam (NL) 2003-04-09 EP disclosed
EP-1272515-A2 IMMUNOREGULATOR Erasmus Universiteit Rotterdam (NL) 2003-01-08 EP disclosed
WO-2001072831-A2 IMMUNOREGULATOR ERASMUS UNIVERSITEIT ROTTERDAM (NL) 2001-10-04 WO disclosed
EP-0804252-A2 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1997-11-05 EP disclosed
WO-1995033497-A1 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1995-12-14 WO disclosed
EP-0505385-A4 ANTI-AGGREGATORY PEPTIDES CONTAINING A MERCAPTAN OR SULFIDE MOIETY 1993-05-05 EP disclosed
EP-0505385-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING A MERCAPTAN OR SULFIDE MOIETY SMITHKLINE BEECHAM CORPORATION (US) 1992-09-30 EP disclosed
WO-1991007429-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING A MERCAPTAN OR SULFIDE MOIETY SMITHKLINE BEECHAM CORPORATION (US) 1991-05-30 WO disclosed