SCHEMBL27828

SCHEMBL27828

CCOC(=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
SCHEMBL27845082 1.00 MGAM (0.55)
Hydrochloric Acid SCHEMBL29184752 0.97 MGAM (0.52)
Ethane SCHEMBL15442720 0.97 MGAM (0.52)
Benzene SCHEMBL27794759 0.93 ALDH1A1 (0.49)
Ethyl Propionate SCHEMBL10796808 0.93 MGAM (0.48)
SCHEMBL11340674 0.91 MGAM (0.46)
Pentane SCHEMBL29049139 0.91 MGAM (0.46)
SCHEMBL17940579 0.89 MGAM (0.44)
Glycerin SCHEMBL28329026 0.87 MGAM (0.43)
SCHEMBL5986156 0.85 MMP1 (0.44)

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

Appears in 6655 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122080502-A Furfuryl alcohol copolymer coated ammonium polyphosphate and application thereof in preparation of flame-retardant composite material 2026-05-26 CN claimed
CN-122070988-A Method and system for producing polymer microsphere 中国石油化工股份有限公司 2026-05-22 CN claimed
US-20260096574-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-04-09 US claimed
US-20260076387-A1 COFFEE BEANS AND PRODUCTION METHOD OF COFFEE BEANS SUNTORY HOLDINGS LIMITED (JP) 2026-03-19 US claimed
US-12578648-B2 Rinsing liquid and pattern forming method FUJIFILM CORPORATION (JP) 2026-03-17 US claimed
US-12568998-B2 Flavouring composition with balanced taste profile SYMRISE AG (DE) 2026-03-10 US claimed
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
US-20260033519-A1 STORAGE-STABLE BEVERAGES COMPRISING ANTHOCYANINS BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIV (US) 2026-02-05 US claimed
US-20260028562-A1 FLAVORED POROUS MATERIAL FOR FLAVORED BEVERAGE PRODUCTION DANSTAR FERMENT AG (CH) 2026-01-29 US claimed
EP-4302747-B1 SYSTEM FOR DISPENSING A COSMETIC PRODUCT OREAL (FR) 2026-01-14 EP claimed
US-5160585-A Separation of tetrachloroethylene from a butyl alcohol by extractive distillation Berg, Lloyd (US) 1992-11-03 US claimed
US-5131985-A Recovering from azeotrope mixture Berg, Lloyd (US) 1992-07-21 US claimed
US-5118392-A Introducing extractive agent to increase relative volatility Berg, Lloyd (US) 1992-06-02 US claimed
US-5106460-A Using ester, alcohol, ketone agents Berg, Lloyd (US) 1992-04-21 US claimed
US-4966656-A MIXING WITH ACYCLIC ESTERS GIVES EXHANCED VOLATILITY Berg, Lloyd (US) 1990-10-30 US claimed
US-4954077-A LIQUIFIED BUTANE GAS CONTAINING PERFUME TAMURA TAKEMI (JP) 1990-09-04 US claimed
EP-0313428-A1 Gas lighter Tamura, Takemi (JP) 1989-04-26 EP claimed
US-4414233-A Methylthiomethyl esters as flavor additives POLAK'S FRUTAL WORKS, B.V. (NL) 1983-11-08 US claimed
US-4332829-A Methylthiomethyl esters as flavor additives POLAK'S FRUTAL WORKS, B.V. (NL) 1982-06-01 US claimed
US-4094823-A Ethyl-2-methyl-3,4-pentadienoate perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-06-13 US claimed