SCHEMBL2163221

SCHEMBL2163221

CCC=C(C=O)CC

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
SCHEMBL7044565 1.00
SCHEMBL23648152 0.82 ALDH1A1 (0.37)
SCHEMBL23648151 0.82 ALDH1A1 (0.37)
SCHEMBL17184314 0.79
SCHEMBL17184315 0.79
Water SCHEMBL17181560 0.78
SCHEMBL366897 0.78
SCHEMBL6554564 0.78
SCHEMBL11678377 0.78
SCHEMBL366896 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853585-B Heterogeneous catalysis double bond isomerization method 江苏宏邦化工科技有限公司 2024-12-06 CN claimed
US-20170291866-A1 Production of Mixed Aldol Products from the Products of Hydroformylation Reactions Texmark Chemicals, Inc. (US) 2017-10-12 US claimed
US-9688599-B2 Production of mixed aldol products from the products of hydroformylation reactions Texmark Chemicals, Inc. (US) 2017-06-27 US claimed
US-20150299081-A1 Production of Mixed Aldol Products from the Products of Hydroformylation Reactions Texmark Chemicals, Inc. (US) 2015-10-22 US claimed
WO-2015161321-A1 PRODUCTION OF MIXED ALDOL PRODUCTS FROM THE PRODUCTS OF HYDROFORMYLATION REACTIONS Texmark Chemicals, Inc. (US) 2015-10-22 WO claimed
US-12559691-B2 Method for producing motor fuel from ethanol SWEDISH BIOFUELS AB (SE) 2026-02-24 US disclosed
US-20250290001-A1 METHOD FOR PRODUCING MOTOR FUEL FROM ETHANOL SWEDISH BIOFUELS AB (SE) 2025-09-18 US disclosed
US-12338403-B2 Method for producing motor fuel from ethanol SWEDISH BIOFUELS AB (SE) 2025-06-24 US disclosed
US-20250026702-A1 METHOD FOR PRODUCING MOTOR FUEL FROM ETHANOL SWEDISH BIOFUELS AB (SE) 2025-01-23 US disclosed
CN-114853585-B Heterogeneous catalysis double bond isomerization method 江苏宏邦化工科技有限公司 2024-12-06 CN disclosed
EP-4396307-A1 METHOD FOR PRODUCING MOTOR FUEL FROM ETHANOL Swedish Biofuels AB (SE) 2024-07-10 EP disclosed
CN-118176275-A Method for producing engine fuel from ethanol 瑞典生物燃料股份公司 2024-06-11 CN disclosed
EP-0542220-A1 Polyurethanes and processes for preparing same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-19 EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 US disclosed
EP-0274379-A2 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-13 EP disclosed
EP-0087712-B1 METHOD FOR THE PREPARATION OF 3-CYANO-2-ALKYL ALKANALS AND USE OF 3-CYANO-2-ETHYL HEXANAL IN THE PREPARATION OF 2-PROPYLPENTANOIC ACID BASF Aktiengesellschaft (DE) 1986-05-07 EP disclosed
EP-0171441-A1 Prostaglandin analogues, processes for their preparation and compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1986-02-19 EP disclosed
US-4532082-A Preparation of 3-cyano-2-alkylalkanals BASF AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
EP-0087712-A1 Method for the preparation of 3-cyano-2-alkyl alkanals and use of 3-cyano-2-ethyl hexanal in the preparation of 2-propylpentanoic acid BASF Aktiengesellschaft (DE) 1983-09-07 EP disclosed
US-3960932-A Process for the preparation of aldehydes from organic halides THE UNIVERSITY OF DELAWARE (US) 1976-06-01 US disclosed