SCHEMBL542085

SCHEMBL542085

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

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
SCHEMBL29287972 0.73
SCHEMBL1020640 0.67
SCHEMBL25055398 0.65
Formic Acid SCHEMBL5573577 0.65 FDPS (0.30)
SCHEMBL6546262 0.64
SCHEMBL25138438 0.64
Formic Acid SCHEMBL8505568 0.63
Formic Acid SCHEMBL3812926 0.63 ALDH1A1 (0.35)
SCHEMBL3844855 0.62
SCHEMBL1013973 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103374708-B High temperature atomic layer deposition of silicon oxide thin films 气体产品与化学公司 2017-05-17 CN claimed
US-20250027927-A1 BIOSENSOR AND METHODS OF IN-SITU MEASURING OF NUTRIENT CONTENT OF A CROP CULTIVATION SUBSTRATE NORTH CAROLINA STATE UNIVERSITY 2025-01-23 US disclosed
US-11571454-B2 Anticancer peptides that synergistically enhance chemotherapeutic potency THE PENN STATE RESEARCH FOUNDATION (US) 2023-02-07 US disclosed
US-11370879-B2 Solution-processable indenofluorenes and methods to generate solution-processable indenofluorenes INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-06-28 US disclosed
US-11312820-B2 Solution-processable indenofluorenes and methods to generate solution-processable indenofluorenes INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-04-26 US disclosed
US-20210177931-A1 ANTICANCER PEPTIDES THAT SYNERGISTICALLY ENHANCE CHEMOTHERAPEUTIC POTENCY THE PENN STATE RESEARCH FOUNDATION 2021-06-17 US disclosed
US-20210115187-A1 SOLUTION-PROCESSABLE INDENOFLUORENES AND METHODS TO GENERATE SOLUTION-PROCESSABLE INDENOFLUORENES INTERNATIONAL BUSINESS MACHINES CORPORATION 2021-04-22 US disclosed
US-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS SOLSTICE BIOLOGICS LTD (IE) 2020-12-17 US disclosed
US-20200190254-A1 SOLUTION-PROCESSABLE INDENOFLUORENES AND METHODS TO GENERATE SOLUTION-PROCESSABLE INDENOFLUORENES INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-06-18 US disclosed
US-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS BRADSHAW CURT W (US) 2017-04-27 US disclosed
US-20060247295-A1 Cytotoxic compounds and conjugates with cleavable substrates MEDAREX, INC. (US) 2006-11-02 US disclosed
WO-2006110476-A2 CYTOTOXIC COMPOUNDS AND CONJUGATES COMPRISING DUOCARMYCINS WITH CLEAVABLE SUBSTRATES MEDAREX, INC. (US) 2006-10-19 WO disclosed
EP-1633355-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2006-03-15 EP disclosed
US-20060024317-A1 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC (US) 2006-02-02 US disclosed
US-20060004081-A1 Cytotoxic compounds and conjugates MEDAREX, INC. (US) 2006-01-05 US disclosed
WO-2005112919-A2 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES MEDAREX, INC. (US) 2005-12-01 WO disclosed
WO-2004105755-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 WO disclosed
US-20040242576-A1 Urea substituted benzothiazoles HOFFMANN-LA ROCHE INC. 2004-12-02 US disclosed
EP-0062836-B1 DIPHENYL ETHER HERBICIDES, THEIR PREPARATION AND USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-07-17 EP disclosed
EP-0062836-A1 Diphenyl ether herbicides, their preparation and use as herbicides BASF Aktiengesellschaft (DE) 1982-10-20 EP disclosed