SCHEMBL42054

SCHEMBL42054

CC(=O)C(C)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
SCHEMBL901230 1.00 TP53 (0.57)
SCHEMBL73997 1.00
SCHEMBL74607 1.00
Ammonia Solution, Strong SCHEMBL6545802 0.96
Hydrochloric Acid SCHEMBL30716856 0.96
SCHEMBL29399187 0.96
Hydrogen Peroxide SCHEMBL11422902 0.96
Charcoal, Activated SCHEMBL12487647 0.96
Isopropyl Alcohol SCHEMBL16321076 0.96 TP53 (0.53)
Butanedione SCHEMBL2403188 0.92 TSHR (0.54)

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 17992 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747627-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS Matterworks Inc (US) 2026-05-27 EP claimed
CN-122081006-A Fenugreek tincture aroma fitting object based on key aroma components and aroma synergy and application thereof 2026-05-26 CN claimed
CN-122030408-A Composition, biostimulant and application thereof 中化农业(临沂)研发中心有限公司 2026-05-15 CN claimed
CN-122030412-A Bee-attracting agent, bee-attracting method and application thereof 中国林业科学研究院高原林业研究所 2026-05-15 CN claimed
CN-122042880-A Method for rapidly identifying fresh flower cakes of roses in different producing areas 临沂大学 2026-05-15 CN claimed
EP-4739121-A1 DAIRY PRODUCT ANALOGUES COMPRISING NON-DAIRY ACIDIC FOOD INGREDIENT Société des Produits Nestlé S.A. (CH) 2026-05-13 EP claimed
US-20260110003-A1 COMPOSITIONS AND METHODS FOR PRODUCTION OF HIGH VALUE CHEMICALS FROM ETHANOL SOLUGEN, INC. (US) 2026-04-23 US claimed
US-12601000-B2 Method for the hydroxylation of steroids ANNIKKI GMBH (AT) 2026-04-14 US claimed
US-20260096574-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-04-09 US claimed
US-20260098282-A1 CONVERSION OF CARBON DIOXIDE TO HIGHER VALUE CHEMICALS TEXAS A & M UNIV SYS (US) 2026-04-09 US claimed
US-4041186-A ADJUVANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-09 US claimed
US-4031257-A CHEWING GUM, MEDICINAL PRODUCTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-06-21 US claimed
US-4031256-A ORGANOLEPTIC, NUTTY TASTE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-06-21 US claimed
US-3989856-A 3-Furyl beta-oxoalkyl sulfides and methods for using same for altering, modifying or enhancing the organoleptic properties of foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-11-02 US claimed
US-3985908-A 3-Furyl sulfides and foodstuff flavor compositions comprising same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-12 US claimed
US-3985907-A Novel 3-furyl beta oxoalkyl sulfides, processes for producing same and methods for using same for altering the organoleptic properties of foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-12 US claimed
US-3982038-A Methods for using 3-furyl β-chalocogenalkyl sulfides for altering the organoleptic properties of foodstuffs, and compositions of matter containing 3-furyl β-chalcogenalkyl sulfides INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-09-21 US claimed
US-3961093-A ORGANOLEPTIC PROPERTIES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-06-01 US claimed
US-3959509-A Flavoring foodstuffs using sulfur-containing compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-05-25 US claimed
US-3954584-A Photopolymerizable vinylurethane liquid composition KANSAI PAINT COMPANY (JA) 1976-05-04 US claimed