SCHEMBL4480017

SCHEMBL4480017

CC=CC(=O)CC(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
SCHEMBL4480014 1.00
SCHEMBL18161623 1.00
SCHEMBL9571020 0.79
SCHEMBL28051019 0.79 SLC22A6 (0.39)
SCHEMBL17799152 0.78
SCHEMBL17799151 0.78
SCHEMBL3086103 0.78
SCHEMBL3419635 0.77 ALDH1A1 (0.48)
SCHEMBL6847493 0.77 TSHR (0.45)
SCHEMBL3419638 0.77 ALDH1A1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105755831-A Antibacterial deodorization type finishing agent and preparation method thereof 苏州纺友新材料有限公司 2016-07-13 CN claimed
WO-2013003946-A1 COMPOSITIONS AND METHODS FOR ATTRACTING AND STIMULATING FEEDING BY MICE AND RATS CONTECH ENTERPRISES INC. (CA) 2013-01-10 WO claimed
US-3979471-A Process for synthesizing ethylenic compounds AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1976-09-07 US claimed
WO-2025096734-A1 MICROCAPSULES FMC CORPORATION (US) 2025-05-08 WO disclosed
CN-116814443-B Pholiota nameko and application thereof 东北农业大学 2024-05-10 CN disclosed
EP-2999344-B1 METHODS FOR ATTRACTING AND STIMULATING FEEDING BY MICE AND RATS SCOTTS CANADA LTD (CA) 2024-04-17 EP disclosed
CN-116814443-A Pholiota nameko and application thereof 东北农业大学 2023-09-29 CN disclosed
EP-3735401-B1 UPGRADING FUSEL OIL MIXTURES OVER HETEROGENEOUS CATALYSTS TO HIGHER VALUE RENEWABLE CHEMICALS GEVO INC (US) 2023-04-26 EP disclosed
EP-3735401-A1 UPGRADING FUSEL OIL MIXTURES OVER HETEROGENEOUS CATALYSTS TO HIGHER VALUE RENEWABLE CHEMICALS GEVO, Inc. (US) 2020-11-11 EP disclosed
US-10633320-B2 Upgrading fusel oil mixtures over heterogeneous catalysts to higher value renewable chemicals GEVO, INC. (US) 2020-04-28 US disclosed
US-20190308922-A1 UPGRADING FUSEL OIL MIXTURES OVER HETEROGENEOUS CATALYSTS TO HIGHER VALUE RENEWABLE CHEMICALS GEVO, INC. 2019-10-10 US disclosed
US-7592463-B2 An imidazolidinone compounds is used in reaction as catalyst to lower the energy level of the lowest unoccupied molecular orbital CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-09-22 US disclosed
EP-1461320-B1 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2008-04-09 EP disclosed
EP-1461320-A4 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2004-12-08 EP disclosed
EP-1461320-A2 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-09-29 EP disclosed
US-20030220507-A1 Enantioselective transformation of alpha,beta-unsaturated ketones using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-11-27 US disclosed
WO-2003047740-A2 ENANTIOSELECTIVE TRANSFORMATION OF α,β-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-06-12 WO disclosed
EP-0447758-B1 Process for the preparation of unsaturated and saturated carbonyl compounds BASF AG (DE) 1994-08-03 EP disclosed
US-4631292-A 1,3-dioxane derivatives, method of their synthesis and anti-peptic ulcer agent KOTOBUKI SEIYAKU CO., LTD. (JP) 1986-12-23 US disclosed
US-3979471-A Process for synthesizing ethylenic compounds AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1976-09-07 US disclosed