SCHEMBL1458706

SCHEMBL1458706

C/C=C(/C(N)=O)N(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
SCHEMBL16212232 1.00
SCHEMBL1458711 1.00
Formic Acid SCHEMBL31336082 0.92
Fumaric Acid SCHEMBL1756130 0.88 TSHR (0.41)
Maleic Acid SCHEMBL1756123 0.88 TSHR (0.41)
Malic Acid SCHEMBL22367533 0.77 SMN1; SMN2 (0.52)
Citric Acid SCHEMBL22367547 0.77 ALDH1A1 (0.52)
SCHEMBL15711047 0.74 GRIK1 (0.31)
SCHEMBL22344706 0.74
SCHEMBL9319818 0.74 GRIK1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2025-06-17 US claimed
US-20240277722-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-CANCER AGENT AURIGENE ONCOLOGY LTD (IN) 2024-08-22 US claimed
US-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 US claimed
WO-2024064091-A1 NOVEL PYRIMIDINE COMPOUND AS KINASE INHIBITORS WITH BIOLOGICAL ACTIVITIES ON EGFR MUTANTS Advenchen Pharmaceuticals, LLC (US) 2024-03-28 WO claimed
US-20240016811-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-MICROTUBULE AGENT AURIGENE ONCOLOGY LIMITED (IN) 2024-01-18 US claimed
US-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 US claimed
US-20220098156-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-31 US claimed
CN-108341873-B Antibodies to epidermal growth factor receptor 3(HER3) 诺华股份有限公司 2022-03-25 CN claimed
US-11174232-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-11-16 US claimed
EP-3737404-A1 SELECTIVE TARGETING OF APOPTOSIS PROTEINS BY STRUCTURALLY-STABILIZED AND/OR CYSTEINE-REACTIVE NOXA PEPTIDES Dana Farber Cancer Institute, Inc. (US) 2020-11-18 EP claimed
US-20200262793-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-08-20 US claimed
WO-2019118719-A1 SELECTIVE TARGETING OF APOPTOSIS PROTEINS BY STRUCTURALLY-STABILIZED AND/OR CYSTEINE-REACTIVE NOXA PEPTIDES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-20 WO claimed
EP-3302448-A1 SUBSTITUTED HETEROCYCLYL DERIVATIVES AS CDK INHIBITORS Aurigene Discovery Technologies Limited (IN) 2018-04-11 EP claimed
WO-2016193939-A1 SUBSTITUTED HETEROCYCLYL DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-12-08 WO claimed
WO-2009151910-A2 COMBINATION PRODUCT OF RECEPTOR TYROSINE KINASE INHIBITOR AND FATTY ACID SYNTHASE INHIBITOR FOR TREATING CANCER WYETH (US) 2009-12-17 WO claimed
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2008-12-04 US claimed
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed