SCHEMBL17767367

SCHEMBL17767367

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
SLC7A5 Q01650 1/20 0.47
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
FFAR3 O14843 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ABCB11 O95342 1/20 0.40
F2 P00734 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3662 1.00
SCHEMBL2531259 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL5940223 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL10857351 1.00
SCHEMBL2774033 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
Hydrogen Peroxide SCHEMBL28852493 1.00
SCHEMBL17767389 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL4640114 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL405938 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL1331326 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4282448-A1 POROUS EXPANDING BIOCOMPATIBLE SCAFFOLDS Danmarks Tekniske Universitet (DK) 2023-11-29 EP claimed
WO-2023227548-A1 NUCLEOTIDE DELIVERY FROM INJECTABLE HYDROPHOBIC BIOMATERIAL DANMARKS TEKNISKE UNIVERSITET (DK) 2023-11-30 WO disclosed
WO-2023227518-A1 POROUS EXPANDING BIOCOMPATIBLE SCAFFOLDS DANMARKS TEKNISKE UNIVERSITET (DK) 2023-11-30 WO disclosed
EP-4282448-A1 POROUS EXPANDING BIOCOMPATIBLE SCAFFOLDS Danmarks Tekniske Universitet (DK) 2023-11-29 EP disclosed
EP-4282435-A1 FORMULATIONS OF ACTIVE PHARMACEUTICAL INGREDIENTS AND EXCIPIENTS IN ICELLS VIA HYDROPHOBIC ION PAIRING Danmarks Tekniske Universitet (DK) 2023-11-29 EP disclosed
EP-3982922-A1 DISSACHARIDE FORMULATIONS FOR CONTROLLED DRUG RELEASE Technical University of Denmark (DK) 2022-04-20 EP disclosed
WO-2020249801-A1 DISSACHARIDE FORMULATIONS FOR CONTROLLED DRUG RELEASE TECHNICAL UNIVERSITY OF DENMARK (DK) 2020-12-17 WO disclosed
EP-3220887-A1 GEL FORMULATIONS FOR LOCAL DRUG RELEASE Technical University of Denmark (DK) 2017-09-27 EP disclosed
WO-2016079332-A1 GEL FORMULATIONS FOR IMPROVING IMMUNOTHERAPY TECHNICAL UNIVERSITY OF DENMARK (DK) 2016-05-26 WO disclosed
WO-2016079330-A1 GEL FORMULATIONS FOR LOCAL DRUG RELEASE TECHNICAL UNIVERSITY OF DENMARK (DK) 2016-05-26 WO disclosed
WO-2016079331-A1 GEL FORMULATIONS FOR ENHANCING THE EFFECT OF RADIOTHERAPY TECHNICAL UNIVERSITY OF DENMARK (DK) 2016-05-26 WO disclosed