SCHEMBL4763650

SCHEMBL4763650

CNC(C)(C)C(=O)OC

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
SCHEMBL24101210 0.78 DGAT1 (0.41)
SCHEMBL16976213 0.78 DGAT1 (0.52)
SCHEMBL1020272 0.78
SCHEMBL6280144 0.74 DGAT1 (0.42)
SCHEMBL8173647 0.74
SCHEMBL412680 0.74
SCHEMBL4763665 0.74 PKM (0.44)
SCHEMBL4763798 0.74 TSHR (0.40)
SCHEMBL16492131 0.72 KMT2A (0.34)
SCHEMBL13552250 0.72 DGAT1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199609-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2024-06-20 US disclosed
US-11905283-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2024-02-20 US disclosed
WO-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 WO disclosed
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 US disclosed
US-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2023-05-25 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
CN-114057689-A Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2022-02-18 CN disclosed
CN-109415360-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2021-11-02 CN disclosed
US-20210300919-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-09-30 US disclosed
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-12 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
US-20100121076-A1 METHOD FOR THE PREPARATION OF PHOSPHINE BUTADIENE LIGANDS, COMPLEXES THEREOF WITH COPPER AND USE THEREOF IN CATALYSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-05-13 US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20090326240-A1 Iron-Copper Co-Catalyzed Process for Carbon-Carbon or Carbon-Heteroatom Bonding CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-12-31 US disclosed
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
US-20090240061-A1 Method for forming a carbon-carbon or carbon-heteroatom bond SHASUN PHARMA SOLUTIONS, INC. (US) 2009-09-24 US disclosed
US-20090240061-A1 Method for forming a carbon-carbon or carbon-heteroatom bond SHASUN PHARMA SOLUTIONS, INC. (US) 2009-09-24 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed