SCHEMBL2401943

SCHEMBL2401943

CC(CS)C(N)C(=O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL208605 1.00
SCHEMBL28146779 1.00
Hydrochloric Acid SCHEMBL9843064 0.98 SLC7A5 (0.50)
Isoleucine SCHEMBL6809072 0.79 PTGS1 (0.61)
Isoleucine SCHEMBL10610189 0.79 PTGS1 (0.61)
Isoleucine SCHEMBL10610194 0.79 PTGS1 (0.61)
Isoleucine SCHEMBL1255582 0.77 SLC7A5 (0.55)
Isoleucine SCHEMBL8186739 0.77 SLC7A5 (0.55)
Isoleucine SCHEMBL1255583 0.77 SLC7A5 (0.55)
Isoleucine SCHEMBL8045737 0.77 SLC7A5 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476841-A Inhibitors of herpes viral ribonucleotide reductase BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1995-12-19 US claimed
US-20230106131-A1 POLYPEPTIDE CONJUGATES FOR INTRACELLULAR DELIVERY OF STAPLED PEPTIDES OHIO STATE INNOVATION FOUNDATION 2023-04-06 US disclosed
US-20230020092-A1 COMPOSITIONS FOR DELIVERY OF ANTISENSE COMPOUNDS ENTRADA THERAPEUTICS, INC. 2023-01-19 US disclosed
WO-2022109058-A1 NUCLEASES COMPRISING CELL PENETRATING PEPTIDE SEQUENCES ENTRADA THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed
US-20220033787-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL NEUROGASTROINTESTINAL ENCEPHALOPATHY ENTRADA THERAPEUTICS, INC. 2022-02-03 US disclosed
US-11168310-B2 Compositions and methods for treating mitochondrial neurogastrointestinal encephalopathy ENTRADA THERAPEUTICS, INC. (US) 2021-11-09 US disclosed
US-20210244824-A1 POLYPEPTIDE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS OHIO STATE INNOVATION FOUNDATION 2021-08-12 US disclosed
WO-2021127650-A1 COMPOSITIONS FOR DELIVERY OF ANTISENSE COMPOUNDS ENTRADA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021041895-A1 STAPLED BETA-CATENIN LIGANDS OHIO STATE INNOVATION FOUNDATION (US) 2021-03-04 WO disclosed
US-20200354697-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL NEUROGASTROINTESTINAL ENCEPHALOPATHY 5AM VENTURE MANAGEMENT, LLC 2020-11-12 US disclosed
US-20200276323-A1 POLYPEPTIDE CONJUGATES FOR INTRACELLULAR DELIVERY OF STAPLED PEPTIDES OHIO STATE INNOVATION FOUNDATION 2020-09-03 US disclosed
WO-2019165183-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL NEUROGASTROINTESTINAL ENCEPHALOPATHY ENTRADA THERAPEUTICS, INC. (US) 2019-08-29 WO disclosed
EP-2545033-A2 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2013-01-16 EP disclosed
WO-2011112535-A2 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2011-09-15 WO disclosed
US-4169834-A RIFAMYCIN DERIVATIVES GRUPPO LEPETIT S.P.A. (IT) 1979-10-02 US disclosed