SCHEMBL577114

SCHEMBL577114

CC#CC(C)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
SCHEMBL30490530 0.97
SCHEMBL9063449 0.84 TP53 (0.47)
SCHEMBL15669391 0.77 TP53 (0.40)
SCHEMBL21585503 0.77
SCHEMBL3111994 0.77
SCHEMBL16670899 0.74 TP53 (0.38)
SCHEMBL17974820 0.74
SCHEMBL964836 0.74
SCHEMBL6721261 0.74
SCHEMBL6721264 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP claimed
CN-108140889-B Nonaqueous electrolyte solution and electricity storage device using same 宇部兴产株式会社 2020-12-25 CN claimed
US-20180301758-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2018-10-18 US claimed
US-6479191-B1 COMPRISING A NON-AQUEOUS SOLVENT, AN ELECTROLYTE SALT DISSOLVED THEREIN AND AT LEAST ONE ALKYNE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2002-11-12 US claimed
US-3931306-A Process for producing isomer mixtures containing high proportions of cis-2-methyl-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 US claimed
US-3931293-A Processes for producing cis alkyl-2-methyl-3-pentenoates and isomer mixtures containing high proportions of cis alkyl-2-methyl-3-pentenoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 US claimed
US-12620622-B2 Compound including sulfur-containing heterocyclic cation and bis(oxolato)borate anion, electrolytic solution and electrochemical device including the same DAIKIN INDUSTRIES, LTD. (JP) 2026-05-05 US disclosed
US-20250260063-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, SECONDARY BATTERY, AND LITHIUM-ION SECONDARY BATTERY DAIKIN INDUSTRIES, LTD. (JP) 2025-08-14 US disclosed
EP-3780232-B1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY BATTERY, AND MODULE DAIKIN IND LTD (JP) 2025-07-30 EP disclosed
US-20250233206-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2025-07-17 US disclosed
CN-120077502-A Electrolyte, electrochemical device, secondary battery, and lithium ion secondary battery 大金工业株式会社 2025-05-30 CN disclosed
US-20250174720-A1 ELECTROLYTE, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE DAIKIN INDUSTRIES, LTD. (JP) 2025-05-29 US disclosed
US-12315883-B2 Non-aqueous electrolyte solution and non-aqueous electrolyte secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2025-05-27 US disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
US-5451511-A Biosynthesis, avermectins PFIZER INC. (US) 1995-09-19 US disclosed
US-5089480-A ANTIPARASITIC AGENTS PFIZER INC. (US) 1992-02-18 US disclosed
US-4000327-A BERRY FRUIT FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US disclosed
US-3984579-A Novel flavoring compositions and products containing isomer mixtures containing high proportions of 2-methyl-cis-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-05 US disclosed
US-3931306-A Process for producing isomer mixtures containing high proportions of cis-2-methyl-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 US disclosed
US-3931293-A Processes for producing cis alkyl-2-methyl-3-pentenoates and isomer mixtures containing high proportions of cis alkyl-2-methyl-3-pentenoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 US disclosed